Geometry & MOs

Info

ID:	33425
PubChem CID:	7886387
Reduced:	ClFN3O3H19C20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	400.091535
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	2.01
IP(EA), eV:	-9.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=CC=C3Cl

DOS

IR

Vibrations