Geometry & MOs

Info

ID:	48417
PubChem CID:	10545976
Reduced:	F3N3O5C13H18 (1)
Stoich.:	A3B3C5D13E18 (1)
Weight, g/mol:	359.099143
ΔH_f, kcal/mol:	-364.91
Dipole, Da:	7.46
IP(EA), eV:	-10.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)C(=O)NCCCC[NH3+].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations