Geometry & MOs

Info

ID:	195135
PubChem CID:	78642163
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	412.058521
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	1.3
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl) 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)NCCC2=CC(=CC=C2)F)OC

DOS

IR

Vibrations