Geometry & MOs

Info

ID:	302111
PubChem CID:	124349578
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	402.141342
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	3.09
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-1-[2-(2-fluorophenyl)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)CCC4=CC=CS4

DOS

IR

Vibrations