Geometry & MOs

Info

ID:	302109
PubChem CID:	124349552
Reduced:	ClSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	4.25
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(=O)N([C@H]3[C@H]2CS(=O)(=O)C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations