Geometry & MOs

Info

ID:	324856
PubChem CID:	126678481
Reduced:	N2O3C32H38 (1)
Stoich.:	A2B3C32D38 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	5.6
IP(EA), eV:	-8.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[1-(phenylmethoxycarbonylamino)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)N=C(C3=CC=C(C=C3)OCCCCCCOC(=O)C=C)N)C

DOS

IR

Vibrations