Geometry & MOs

Info

ID:	7400
PubChem CID:	72440
Reduced:	O5N8C20H22 (1)
Stoich.:	A5B8C20D22 (1)
Weight, g/mol:	454.171316
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	11.1
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations