Geometry & MOs

Info

ID:	7638
PubChem CID:	73577
Reduced:	O6N7C20H21 (1)
Stoich.:	A6B7C20D21 (1)
Weight, g/mol:	455.155331
ΔH_f, kcal/mol:	-173.76
Dipole, Da:	13.86
IP(EA), eV:	-8.87(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations