Geometry & MOs

Info

ID:	168638
PubChem CID:	74997921
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	354.107185
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	3.4
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1C(C(=S)NC2=C1C=C(C=C2)OC)CSC

DOS

IR

Vibrations