Geometry & MOs

Info

ID:	88888
PubChem CID:	49957396
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	333.070261
ΔH_f, kcal/mol:	66.8
Dipole, Da:	8.67
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-methylbenzimidazol-5-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC3=CC=CC=C3

DOS

IR

Vibrations