Geometry & MOs

Info

ID:	430106
PubChem CID:	135170164
Reduced:	NSO3H15C23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	387.092915
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	8.41
IP(EA), eV:	-8.71(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations