Geometry & MOs

Info

ID:	302398
PubChem CID:	124361577
Reduced:	NOC6H9 (4)
Stoich.:	ABC6D9 (4)
Weight, g/mol:	473.158685
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	3.82
IP(EA), eV:	-8.41(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@H]3CCCN3

DOS

IR

Vibrations