Geometry & MOs

Info

ID:	135182
PubChem CID:	51830555
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	460.203193
ΔH_f, kcal/mol:	-187.59
Dipole, Da:	7.82
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[tert-butyl-(2-hydroxyacetyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@H](C1=CC=CC=C1O)C(=O)NC2CCCCC2)C(=O)CO

DOS

IR

Vibrations