Geometry & MOs

Info

ID:	302083
PubChem CID:	124349446
Reduced:	ClSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	479.118478
ΔH_f, kcal/mol:	-118.11
Dipole, Da:	5.54
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4aS,7aS)-4-(3-methoxyphenyl)-3,6,6-trioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CC4=CC=CC=C4Cl

DOS

IR

Vibrations