Geometry & MOs

Info

ID:	158593
PubChem CID:	56464262
Reduced:	S2N3O3C21H27 (1)
Stoich.:	A2B3C3D21E27 (1)
Weight, g/mol:	477.277361
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	1.3
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2)C=CS3)N(C)C4CC4

DOS

IR

Vibrations