Geometry & MOs

Info

ID:	307546
PubChem CID:	125307437
Reduced:	O5N7C20H25 (1)
Stoich.:	A5B7C20D25 (1)
Weight, g/mol:	443.191717
ΔH_f, kcal/mol:	-140.24
Dipole, Da:	12.49
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[(6aS)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]phenyl]methylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)CN[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations