Geometry & MOs

Info

ID:	192455
PubChem CID:	78271059
Reduced:	ON2S2F3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	392.041998
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	4.97
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(S2)NC(=S)N(C3=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations