Geometry & MOs

Info

ID:	302399
PubChem CID:	124361578
Reduced:	N3O6H23C26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	473.158685
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	8.14
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)O)N3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations