Geometry & MOs

Info

ID:	304351
PubChem CID:	124557866
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	554.216535
ΔH_f, kcal/mol:	-136.59
Dipole, Da:	3.12
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations