Geometry & MOs

Info

ID:	178079
PubChem CID:	76274310
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	465.229742
ΔH_f, kcal/mol:	-34.3
Dipole, Da:	10.57
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CN=C(C=C1)N(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations