Geometry & MOs

Info

ID:	15565
PubChem CID:	444396
Reduced:	O5N8C20H24 (1)
Stoich.:	A5B8C20D24 (1)
Weight, g/mol:	456.186966
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	6.71
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(N=C(N=C2NC1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations