Geometry & MOs

Info

ID:	28215
PubChem CID:	826332
Reduced:	NSC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	290.053214
ΔH_f, kcal/mol:	35.32
Dipole, Da:	1.24
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-chloro-6-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1SC2=CC=CC=C2)N

DOS

IR

Vibrations