Geometry & MOs

Info

ID:	120953
PubChem CID:	50751697
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	4.4
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aR)-1-[2-(4-chlorophenyl)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=C1CN2CC(=O)N([C@H]3[C@@H]2CS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations