Geometry & MOs

Info

ID:	28394
PubChem CID:	827354
Reduced:	NS2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	315.111542
ΔH_f, kcal/mol:	48.62
Dipole, Da:	2.03
IP(EA), eV:	-8.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6S)-6H-benzo[c][1,5]benzodithiepin-6-yl]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations