Geometry & MOs

Info

ID:	19713
PubChem CID:	571176
Reduced:	NSO2F3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	379.085384
ΔH_f, kcal/mol:	-202.94
Dipole, Da:	2.33
IP(EA), eV:	-8.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C(N1)C=C(C=C2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

DOS

IR

Vibrations