Geometry & MOs

Info

ID:	133197
PubChem CID:	51491441
Reduced:	SO2N4C23H36 (1)
Stoich.:	AB2C4D23E36 (1)
Weight, g/mol:	396.127441
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	5.6
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2CCCCC2N3C1=NN=C3SC/C=C/C4CCCCC4

DOS

IR

Vibrations