Geometry & MOs

Info

ID:	32816
PubChem CID:	7848616
Reduced:	ClFNSO5H15C17 (1)
Stoich.:	ABCDE5F15G17 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-196.44
Dipole, Da:	2.89
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations