Geometry & MOs

Info

ID:	302114
PubChem CID:	124349595
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	3.01
IP(EA), eV:	-9.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations