Geometry & MOs

Info

ID:	32806
PubChem CID:	7848579
Reduced:	FNSO5C18H20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	365.02887
ΔH_f, kcal/mol:	-209.27
Dipole, Da:	4.32
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations