Geometry & MOs

Info

ID:	425085
PubChem CID:	135125127
Reduced:	BrSF3N3O4H13C14 (1)
Stoich.:	ABC3D3E4F13G14 (1)
Weight, g/mol:	456.99187
ΔH_f, kcal/mol:	-238.75
Dipole, Da:	3.33
IP(EA), eV:	-9.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-(2-bromo-2-fluoroethenyl)-2,3-difluorophenyl]-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations