Geometry & MOs

Info

ID:	430144
PubChem CID:	135170206
Reduced:	O3C20H22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	438.103814
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	0.9
IP(EA), eV:	-8.52(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-hydroxyphenyl)-12-oxo-N-prop-2-ynyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#CO)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)O

DOS

IR

Vibrations