Geometry & MOs

Info

ID:	302097
PubChem CID:	124349504
Reduced:	ClSN2O4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	412.04563
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	8.62
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1CC(=O)N([C@@H]2[C@H]1CS(=O)(=O)C2)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations