Geometry & MOs

Info

ID:	302129
PubChem CID:	124349647
Reduced:	FSN2O3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	2.59
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-1-[(3,4-dimethoxyphenyl)methyl]-4-(3,5-dimethylphenyl)-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=C(C=C4)F)C

DOS

IR

Vibrations