Geometry & MOs

Info

ID:	425069
PubChem CID:	135125033
Reduced:	SF2O3N5C22H23 (1)
Stoich.:	AB2C3D5E22F23 (1)
Weight, g/mol:	440.088531
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	2.67
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[5-[(Z)-2-(5-chloropyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1(C(N=C(N(S1(=O)=O)C)N)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC#C)F)F)C

DOS

IR

Vibrations