Geometry & MOs

Info

ID:	6088
PubChem CID:	14439
Reduced:	ClNSC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	329.100499
ΔH_f, kcal/mol:	48.04
Dipole, Da:	1.82
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=C(C=C(C=C2)Cl)SCC3=CC=CC=C31

DOS

IR

Vibrations