Geometry & MOs

Info

ID:	302415
PubChem CID:	124361655
Reduced:	N3O4H23C25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	4.81
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)N(C1=O)[C@H](CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations