Geometry & MOs

Info

ID:	32832
PubChem CID:	7848760
Reduced:	FNSO5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	402.070799
ΔH_f, kcal/mol:	-210.62
Dipole, Da:	4.04
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations