Geometry & MOs

Info

ID:	302407
PubChem CID:	124361616
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	6.76
IP(EA), eV:	-9.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](NCC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations