Geometry & MOs

Info

ID:	61906
PubChem CID:	26715564
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-23.59
Dipole, Da:	6.85
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations