Geometry & MOs

Info

ID:	338489
PubChem CID:	127259181
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	281.047027
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	2.99
IP(EA), eV:	-8.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2SCCOC(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations