Geometry & MOs

Info

ID:	425384
PubChem CID:	135126135
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	484.07836
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	6.86
IP(EA), eV:	-9.02(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridin-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=C/C(=N/NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)/C(=CC1=O)N

DOS

IR

Vibrations