Geometry & MOs

Info

ID:	15575
PubChem CID:	444729
Reduced:	N4O8H22C23 (1)
Stoich.:	A4B8C22D23 (1)
Weight, g/mol:	482.143764
ΔH_f, kcal/mol:	-289.71
Dipole, Da:	11.6
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(1R)-2-(2-amino-4-oxo-1H-quinazolin-6-yl)-1-carboxyethyl]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](CC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations