Geometry & MOs

Info

ID:	195738
PubChem CID:	78729479
Reduced:	SN3O3H17C23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	66.35
Dipole, Da:	7.68
IP(EA), eV:	-9.18(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(4-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations