Geometry & MOs

Info

ID:	133166
PubChem CID:	51486429
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	9.78
IP(EA), eV:	-9.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations