Geometry & MOs

Info

ID:	308446
PubChem CID:	125333117
Reduced:	N4O5H24C28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	496.17467
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	5.38
IP(EA), eV:	-9.0(-1.32)
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]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)C[C@@H](C(=O)O)NC(=O)[C@@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=O

DOS

IR

Vibrations