Geometry & MOs

Info

ID:	192404
PubChem CID:	78265801
Reduced:	N2O9H19C24 (1)
Stoich.:	A2B9C19D24 (1)
Weight, g/mol:	312.117058
ΔH_f, kcal/mol:	-238.3
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.011629
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-2-[(5-methyl-1H-benzimidazol-1-ium-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC(=O)[O-])CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations