Geometry & MOs

Info

ID:	85759
PubChem CID:	49878826
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	7.06
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CSC2=NC=CN(C2=O)C3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations