Geometry & MOs

Info

ID:	299913
PubChem CID:	117931000
Reduced:	SF2O4N5C29H29 (1)
Stoich.:	AB2C4D5E29F29 (1)
Weight, g/mol:	693.33955
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	10.16
IP(EA), eV:	-8.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z,5E)-5-(3,3-diphenyl-1H-inden-2-ylidene)penta-1,3-dien-2-yl]-9,9-dimethyl-10-(4-phenylphenyl)acridine

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)SNC2=CC(=C(C(=C2)F)C(=O)N[C@@H](CC3=CC=C(C=C3)N4C(=O)C=CN4C)C(=O)OC)F

DOS

IR

Vibrations