Geometry & MOs

Info

ID:	425346
PubChem CID:	135125995
Reduced:	ClSF2O2N3H20C21 (1)
Stoich.:	ABC2D2E3F20G21 (1)
Weight, g/mol:	370.106374
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	3.04
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@]1(C[C@](SC(=N1)N)(C)C(=O)OC)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)Cl)\F)F

DOS

IR

Vibrations