Geometry & MOs

Info

ID:	318716
PubChem CID:	126652809
Reduced:	F2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	281.123821
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	0.53
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-tert-butylphenyl)-2H-1,4-benzothiazine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C2=C(C=CC=C2F)F

DOS

IR

Vibrations