Geometry & MOs

Info

ID:	28379
PubChem CID:	827288
Reduced:	ClNSC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	349.07257
ΔH_f, kcal/mol:	26.2
Dipole, Da:	1.26
IP(EA), eV:	-8.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)N[C@@H]2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

DOS

IR

Vibrations