Geometry & MOs

Info

ID:	178472
PubChem CID:	76334549
Reduced:	FS2N5O6C14H18 (1)
Stoich.:	AB2C5D6E14F18 (1)
Weight, g/mol:	503.94986
ΔH_f, kcal/mol:	-221.2
Dipole, Da:	1.81
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(2,2,2-trichloroethoxymethyl)thiophen-2-yl]sulfonylurea

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=C(C=CS2)COCCF)OC

DOS

IR

Vibrations