Geometry & MOs

Info

ID:	302108
PubChem CID:	124349550
Reduced:	ClSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	368.096141
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	4.69
IP(EA), eV:	-9.5(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](CS1(=O)=O)N(C(=O)CN2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations