Geometry & MOs

Info

ID:	238124
PubChem CID:	92729708
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	8.77
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations