Geometry & MOs

Info

ID:	62306
PubChem CID:	26719104
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	464.05177
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	2.88
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CCSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations