Geometry & MOs

Info

ID:	28277
PubChem CID:	826727
Reduced:	BrOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	309.998592
ΔH_f, kcal/mol:	8.38
Dipole, Da:	3.01
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3,6-dichloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2Br

DOS

IR

Vibrations