Geometry & MOs

Info

ID:	11228
PubChem CID:	112124
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	8.29
IP(EA), eV:	-9.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations