Geometry & MOs

Info

ID:	340018
PubChem CID:	127262027
Reduced:	N4O5C21H30 (1)
Stoich.:	A4B5C21D30 (1)
Weight, g/mol:	467.180484
ΔH_f, kcal/mol:	-214.79
Dipole, Da:	4.47
IP(EA), eV:	-9.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C(=O)N)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations