Geometry & MOs

Info

ID:	11129
PubChem CID:	111333
Reduced:	N3O7C19H19 (1)
Stoich.:	A3B7C19D19 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	-175.82
Dipole, Da:	9.16
IP(EA), eV:	-9.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations