Geometry & MOs

Info

ID:	28236
PubChem CID:	826436
Reduced:	ClNSC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	289.069198
ΔH_f, kcal/mol:	39.0
Dipole, Da:	1.78
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-chloro-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Drug info:

PubChemData

Smile

CN(C)[C@H]1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

DOS

IR

Vibrations