Geometry & MOs

Info

ID:	28217
PubChem CID:	826342
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	348.01835
ΔH_f, kcal/mol:	8.47
Dipole, Da:	2.85
IP(EA), eV:	-8.23(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-bromo-8-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1SC2=CC=C(C=C2)OC

DOS

IR

Vibrations