Geometry & MOs

Info

ID:	139268
PubChem CID:	52501367
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	430.134462
ΔH_f, kcal/mol:	-168.02
Dipole, Da:	5.57
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@@H](C(C)C)N2CCCC2=O

DOS

IR

Vibrations