Geometry & MOs

Info

ID:	238056
PubChem CID:	92729640
Reduced:	ClSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	461.117605
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	8.24
IP(EA), eV:	-9.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-chlorophenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations