Geometry & MOs

Info

ID:	425477
PubChem CID:	135126459
Reduced:	ClNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	432.143153
ΔH_f, kcal/mol:	-207.12
Dipole, Da:	1.68
IP(EA), eV:	-10.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(3R)-5-amino-1,1-dihydroxy-3,6,6-trimethyl-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=NC=C(C(=C1)F)Cl)(F)F

DOS

IR

Vibrations