Geometry & MOs

Info

ID:	412
PubChem CID:	2729
Reduced:	ClNSC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	315.084849
ΔH_f, kcal/mol:	47.49
Dipole, Da:	2.78
IP(EA), eV:	-8.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations