Geometry & MOs

Info

ID:	62908
PubChem CID:	26737585
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	493.151886
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	8.76
IP(EA), eV:	-9.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)phenyl]-3,4,5-trimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC(=C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)[N+](=O)[O-])OC)C

DOS

IR

Vibrations