Geometry & MOs

Info

ID:	28274
PubChem CID:	826706
Reduced:	ClSN2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	304.032479
ΔH_f, kcal/mol:	79.88
Dipole, Da:	4.3
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(11S)-2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl] acetate

Drug info:

PubChemData

Smile

C1C(=S)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

DOS

IR

Vibrations