Geometry & MOs

Info

ID:	302112
PubChem CID:	124349583
Reduced:	FSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	3.06
IP(EA), eV:	-9.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCC4=CC=CC=C4F

DOS

IR

Vibrations