Geometry & MOs

Info

ID:	302087
PubChem CID:	124349469
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	3.22
IP(EA), eV:	-9.1(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations