Geometry & MOs

Info

ID:	238064
PubChem CID:	92729648
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	5.29
IP(EA), eV:	-9.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCC=C)C

DOS

IR

Vibrations