Geometry & MOs

Info

ID:	141655
PubChem CID:	52909394
Reduced:	SO2N4C28H33 (1)
Stoich.:	AB2C4D28E33 (1)
Weight, g/mol:	497.084591
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756232
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-chloro-3-nitrophenyl)-N-(cyclopropylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)CCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations