Geometry & MOs

Info

ID:	425321
PubChem CID:	135125922
Reduced:	BrFSN2O2C10H14 (1)
Stoich.:	ABCD2E2F10G14 (1)
Weight, g/mol:	471.074358
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl)-4,5-difluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC)(C1=C(C=CC(=C1)Br)F)N

DOS

IR

Vibrations