Geometry & MOs

Info

ID:	27575
PubChem CID:	822253
Reduced:	ClOSN5H8C12 (1)
Stoich.:	ABCD5E8F12 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	73.43
Dipole, Da:	2.77
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-2-amino-6,7-dimethyl-5-(pyridine-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=NC=NN3)Cl

DOS

IR

Vibrations