Geometry & MOs

Info

ID:	302107
PubChem CID:	124349545
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	404.096141
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	2.9
IP(EA), eV:	-9.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations