Geometry & MOs

Info

ID:	425354
PubChem CID:	135126018
Reduced:	OS2F3N6H21C22 (1)
Stoich.:	AB2C3D6E21F22 (1)
Weight, g/mol:	343.100205
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	5.49
IP(EA), eV:	-8.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-ethenyl-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C(=C3)F)F)[C@@]4(CSN(C(=N4)N)C)C)/F

DOS

IR

Vibrations