Geometry & MOs

Info

ID:	231720
PubChem CID:	87574512
Reduced:	BrClFNOH16C19 (1)
Stoich.:	ABCDEF16G19 (1)
Weight, g/mol:	580.146653
ΔH_f, kcal/mol:	-24.36
Dipole, Da:	7.6
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C(C(C=C1)(CC2=CN=C(C=C2)Br)Cl)F)C3=CC=CC=C3

DOS

IR

Vibrations