Geometry & MOs

Info

ID:	28393
PubChem CID:	827353
Reduced:	NS2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	301.095892
ΔH_f, kcal/mol:	51.86
Dipole, Da:	2.28
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-6H-benzo[c][1,5]benzodithiepin-6-yl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN(C)CC[C@H]1C2=CC=CC=C2SC3=CC=CC=C3S1

DOS

IR

Vibrations