Geometry & MOs

Info

ID:	379315
PubChem CID:	134357808
Reduced:	ClFN3O3C19H25 (1)
Stoich.:	ABC3D3E19F25 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-163.92
Dipole, Da:	4.79
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-4-oxo-5H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](COC1CCC(CC1)OC2=NC3=CC(=C(C=C3N2C)Cl)F)NC(=O)C

DOS

IR

Vibrations