Geometry & MOs

Info

ID:	425469
PubChem CID:	135126428
Reduced:	S2F3O3N6H21C22 (1)
Stoich.:	A2B3C3D6E21F22 (1)
Weight, g/mol:	368.090724
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	4.54
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=N1)COC2=NC=C(N=C2)C(=CC3=CC(=C(C(=C3)F)F)C4(CS(=O)(=O)N(C(=N4)N)C)C)F

DOS

IR

Vibrations