Geometry & MOs

Info

ID:	302124
PubChem CID:	124349616
Reduced:	FSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	2.7
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CC4=CC=CC=C4F)C

DOS

IR

Vibrations