Geometry & MOs

Info

ID:	382184
PubChem CID:	134973159
Reduced:	S2F6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	280.096026
ΔH_f, kcal/mol:	-312.65
Dipole, Da:	9.1
IP(EA), eV:	-9.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-10-prop-2-ynylbenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2(CC(C1)(C)C)SC(=C(C(F)(F)F)C(F)(F)F)S2

DOS

IR

Vibrations