Geometry & MOs

Info

ID:	430104
PubChem CID:	135170161
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	441.064649
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	1.54
IP(EA), eV:	-7.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dioxo-11-[4-(trifluoromethyl)phenyl]-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=CC(=C(C=C2C3=C1CC(C3)(C)C)OC)ON4CCCC4

DOS

IR

Vibrations