Geometry & MOs

Info

ID:	302101
PubChem CID:	124349527
Reduced:	SN2O4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	2.72
IP(EA), eV:	-9.15(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-1-(1,3-benzodioxol-5-ylmethyl)-6,6-dioxo-4-(4-propan-2-ylphenyl)-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)CC4=CC=CC=C4OC

DOS

IR

Vibrations