Geometry & MOs

Info

ID:	238133
PubChem CID:	92729717
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	477.148905
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	11.12
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-1-[3-[(4-chlorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations