Geometry & MOs

Info

ID:	302118
PubChem CID:	124349601
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	402.141342
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	5.53
IP(EA), eV:	-9.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-1-[2-(2-fluorophenyl)ethyl]-4-(4-methylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CC4=CC=CC=C4F

DOS

IR

Vibrations