Geometry & MOs

Info

ID:	135157
PubChem CID:	51826067
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	508.203193
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	5.09
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-hydroxy-N-[(1R)-1-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC=CC=C1O)N(C(=O)C#CC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations