Geometry & MOs

Info

ID:	425355
PubChem CID:	135126019
Reduced:	FSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	341.084555
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	5.42
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CS(N(C(=N1)NC(=O)O)C)(O)O)C2=C(C=CC(=C2)C=C)F

DOS

IR

Vibrations