Geometry & MOs

Info

ID:	170505
PubChem CID:	75243183
Reduced:	NSO5C27H27 (1)
Stoich.:	ABC5D27E27 (1)
Weight, g/mol:	814.36152
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	7.96
IP(EA), eV:	-8.65(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-8,12-dimethoxy-3,5,8,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] N-[(4-bromophenyl)methyl]carbamate

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

CCOC1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C=C2)C.COC1=CC=C(C=C1)S(=O)(=O)[O-]

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

CCOC1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C=C2)C.COC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):