Geometry & MOs

Info

ID:	430113
PubChem CID:	135170174
Reduced:	FO3N4C22H35 (1)
Stoich.:	AB3C4D22E35 (1)
Weight, g/mol:	433.11365
ΔH_f, kcal/mol:	-189.2
Dipole, Da:	2.31
IP(EA), eV:	-8.99(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-oxo-11-(4-phenylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(=CC3)[C@@H]4CCCN4C(=O)NCCF

DOS

IR

Vibrations