Geometry & MOs

Info

ID:	235859
PubChem CID:	92710924
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	13.6
IP(EA), eV:	-7.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations