Geometry & MOs

Info

ID:	235858
PubChem CID:	92710922
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	12.62
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CN(C=N3)C

DOS

IR

Vibrations