Geometry & MOs

Info

ID:	168637
PubChem CID:	74997920
Reduced:	FSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	354.107185
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	0.74
IP(EA), eV:	-8.83(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate

Drug info:

PubChemData

Smile

CCC1C(=S)NC2=C(N1C(=O)OC)C=C(C=C2)F

DOS

IR

Vibrations