Geometry & MOs

Info

ID:	768
PubChem CID:	3334
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	-8.25
Dipole, Da:	4.61
IP(EA), eV:	-8.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations