Geometry & MOs

Info

ID:	54107
PubChem CID:	14720184
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	459.164165
ΔH_f, kcal/mol:	-136.61
Dipole, Da:	5.63
IP(EA), eV:	-9.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-nitrophenyl)methoxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations