Geometry & MOs

Info

ID:	302085
PubChem CID:	124349463
Reduced:	ClSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	1.93
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations