Geometry & MOs

Info

ID:	302132
PubChem CID:	124349653
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-92.64
Dipole, Da:	2.91
IP(EA), eV:	-9.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-4-(3,5-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-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)C

DOS

IR

Vibrations