Geometry & MOs

Info

ID:	158594
PubChem CID:	56464265
Reduced:	SO3N5C24H39 (1)
Stoich.:	AB3C5D24E39 (1)
Weight, g/mol:	461.246061
ΔH_f, kcal/mol:	-99.65
Dipole, Da:	6.22
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations