Geometry & MOs

Info

ID:	436688
PubChem CID:	135207587
Reduced:	ClNOC17H17 (2)
Stoich.:	ABCD17E17 (2)
Weight, g/mol:	741.377786
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	15.4
IP(EA), eV:	-8.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[20-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2,2,6,7,7,9,17,19,19-nonamethyl-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,8,10,12,14,16(21),17-nonaen-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

CC1=CC(N(C2=C1C=C3C(=C2)C(C4=CC5=[N+](CCCC5=CC4=C3C6=C(C=CC(=C6C(=O)[O-])Cl)Cl)C)(C)C)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

CC1=CC(N(C2=C1C=C3C(=C2)C(C4=CC5=[N+](CCCC5=CC4=C3C6=C(C=CC(=C6C(=O)[O-])Cl)Cl)C)(C)C)C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):