Geometry & MOs

Info

ID:	430175
PubChem CID:	135170238
Reduced:	SN2O2H16C24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	417.103479
ΔH_f, kcal/mol:	70.91
Dipole, Da:	4.24
IP(EA), eV:	-8.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-11-(3-methoxyphenyl)-11,12-dihydro-5H-indeno[2,1-c][1,5]benzothiazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=CC2=C(C=C1)C(=O)C3=C2NC4=CC=CC=C4SC3C5=CC(=CC(=C5)O)N

DOS

IR

Vibrations