Geometry & MOs

Info

ID:	387481
PubChem CID:	134985530
Reduced:	PN2O8C13H19 (1)
Stoich.:	AB2C8D13E19 (1)
Weight, g/mol:	404.155906
ΔH_f, kcal/mol:	-216.78
Dipole, Da:	4.84
IP(EA), eV:	-10.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-3-(nitromethyl)-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C(C1=CC=CC=C1)[N+](=O)[O-])O[N+](=O)[O-])OCC

DOS

IR

Vibrations