Geometry & MOs

Info

ID:	61535
PubChem CID:	26710288
Reduced:	ClNF2O3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	4.07
IP(EA), eV:	-8.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations