Geometry & MOs

Info

ID:	9743
PubChem CID:	92929
Reduced:	O6N7C20H21 (1)
Stoich.:	A6B7C20D21 (1)
Weight, g/mol:	455.155331
ΔH_f, kcal/mol:	-163.39
Dipole, Da:	5.5
IP(EA), eV:	-9.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations