Geometry & MOs

Info

ID:	82712
PubChem CID:	49856381
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	443.191717
ΔH_f, kcal/mol:	-81.49
Dipole, Da:	5.21
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[(2-amino-5-methyl-4-oxo-1,6-dihydropteridin-6-yl)methylamino]phenyl]methylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C(=CN2)CCCCCCO

DOS

IR

Vibrations