Geometry & MOs

Info

ID:	5541
PubChem CID:	13303
Reduced:	ClNSC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	317.100499
ΔH_f, kcal/mol:	14.83
Dipole, Da:	4.6
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-methylazanium;chloride

Drug info:

PubChemData

Smile

C[NH2+]CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-]

DOS

IR

Vibrations