Geometry & MOs

Info

ID:	167550
PubChem CID:	74845169
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	403.149167
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	2.28
IP(EA), eV:	-9.21(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(3,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=CO4)C

DOS

IR

Vibrations