Geometry & MOs

Info

ID:	60325
PubChem CID:	26683807
Reduced:	ClSN4O5H19C22 (1)
Stoich.:	ABC4D5E19F22 (1)
Weight, g/mol:	389.0375
ΔH_f, kcal/mol:	-125.73
Dipole, Da:	2.39
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)Cl

DOS

IR

Vibrations