Geometry & MOs

Info

ID:	27576
PubChem CID:	822254
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	331.089167
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	11.8
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6,7-diphenyl-8H-pteridine-2-thione

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CN=CC=C3)C

DOS

IR

Vibrations