Geometry & MOs

Info

ID:	28392
PubChem CID:	827352
Reduced:	NSO2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	301.095892
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	5.22
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC/C=C\1/C2=CC=CC=C2SCC3=C1C=C(C=C3)C(=O)O

DOS

IR

Vibrations