Geometry & MOs

Info

ID:	135193
PubChem CID:	51832347
Reduced:	Cl2N2O3C21H30 (1)
Stoich.:	A2B2C3D21E30 (1)
Weight, g/mol:	513.148905
ΔH_f, kcal/mol:	-151.03
Dipole, Da:	1.95
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@H](C1=C(C=CC=C1Cl)Cl)C(=O)NC2CCCCC2)C(=O)COC

DOS

IR

Vibrations