Geometry & MOs

Info

ID:	28382
PubChem CID:	827312
Reduced:	ClNOSC19H22 (1)
Stoich.:	ABCDE19F22 (1)
Weight, g/mol:	330.135017
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	4.61
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(10S)-5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl]-1,1-dimethylpiperidin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations