Geometry & MOs

Info

ID:	158529
PubChem CID:	56464136
Reduced:	ClOSN3C17H20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	463.261711
ΔH_f, kcal/mol:	20.53
Dipole, Da:	2.23
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[2-[cyclopropyl(methyl)amino]propyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CSC(=N1)C2=CC=C(C=C2)Cl)N(C)C3CC3

DOS

IR

Vibrations