Geometry & MOs

Info

ID:	393025
PubChem CID:	135018995
Reduced:	LiN2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	429.164833
ΔH_f, kcal/mol:	70.06
Dipole, Da:	14.66
IP(EA), eV:	-5.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

[Li+].C1CCN(CC1)C[C@@H](C2=CC=CC=C2)[N-]CC3=CC=CC=C3

DOS

IR

Vibrations