Geometry & MOs

Info

ID:	149593
PubChem CID:	53789267
Reduced:	ClNO4H8C14 (1)
Stoich.:	ABC4D8E14 (1)
Weight, g/mol:	464.252252
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	9.27
IP(EA), eV:	-10.42(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-hydroxy-1-[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidin-3-yl]oxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)Cl

DOS

IR

Vibrations