Geometry & MOs

Info

ID:	430176
PubChem CID:	135170239
Reduced:	NSO4H19C24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	431.119129
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	2.88
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(2E,4E)-5-methoxyhepta-2,4,6-trien-3-yl]-12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3=C(C4=C(C3O)C=CC(=C4)C(=O)O)NC5=CC=CC=C5S2

DOS

IR

Vibrations