Geometry & MOs

Info

ID:	436690
PubChem CID:	135207591
Reduced:	SN2O5C38H42 (1)
Stoich.:	AB2C5D38E42 (1)
Weight, g/mol:	729.237241
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	19.03
IP(EA), eV:	-8.29(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-[20-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2,2,6-trimethyl-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl]benzoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=CC([N+](=C2C1=CC3=C(C4=CC5=C(C=C4C(C3=C2)(C)C)N(C(C=C5CS(=O)(=O)[O-])(C)C)C)C6=CC=CC=C6C(=O)O)C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=CC([N+](=C2C1=CC3=C(C4=CC5=C(C=C4C(C3=C2)(C)C)N(C(C=C5CS(=O)(=O)[O-])(C)C)C)C6=CC=CC=C6C(=O)O)C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):