Geometry & MOs

Info

ID:	302115
PubChem CID:	124349597
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-151.82
Dipole, Da:	2.67
IP(EA), eV:	-8.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-1-[2-(2,5-dimethoxyphenyl)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)CCOC4=CC=C(C=C4)OC

DOS

IR

Vibrations