Geometry & MOs

Info

ID:	385
PubChem CID:	2688
Reduced:	NOSCl2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	322.99384
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	3.41
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)Cl)C(S1)C3=CC=CC=C3Cl

DOS

IR

Vibrations