Geometry & MOs

Info

ID:	430132
PubChem CID:	135170193
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	371.098
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	2.13
IP(EA), eV:	-8.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-(hydroxymethyl)phenyl]-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CCC1=CC2=C3CCCCC3=C(N=C2C=C1ON4CCCC4)C

DOS

IR

Vibrations