Geometry & MOs

Info

ID:	435545
PubChem CID:	135191777
Reduced:	ClFO2S2N4H8C14 (1)
Stoich.:	ABC2D2E4F8G14 (1)
Weight, g/mol:	519.999809
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	6.47
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylsulfonyl)-2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC=C2S(=O)(=O)NC3=CC=C(C4=NSN=C34)F

DOS

IR

Vibrations