Geometry & MOs

Info

ID:	155620
PubChem CID:	56366350
Reduced:	ClSF2N3O4H20C21 (1)
Stoich.:	ABC2D3E4F20G21 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-213.09
Dipole, Da:	2.19
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F)OC

DOS

IR

Vibrations