Geometry & MOs

Info

ID:	61848
PubChem CID:	26714041
Reduced:	SN4O4C23H31 (1)
Stoich.:	AB4C4D23E31 (1)
Weight, g/mol:	492.08307
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	7.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.009965
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

DOS

IR

Vibrations