Geometry & MOs

Info

ID:	302123
PubChem CID:	124349615
Reduced:	FSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	402.141342
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	2.32
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations