Geometry & MOs

Info

ID:	141206
PubChem CID:	52837649
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	444.098906
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(difluoromethoxy)-6-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CCC(=O)N(CCC4=CC=CC=C4)CC5=CC=NC=C5

DOS

IR

Vibrations