Geometry & MOs

Info

ID:	299533
PubChem CID:	117687300
Reduced:	S3N4O6C26H34 (1)
Stoich.:	A3B4C6D26E34 (1)
Weight, g/mol:	849.351927
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	3.77
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-[9-[4-(N-(2-fluoro-4,6-diphenylphenyl)anilino)phenyl]-7,7-dimethylbenzo[c]fluoren-5-yl]anilino)benzonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC(=C(C3=C2COC(C3)(C)C)C#N)SCCC4=CC=C(C=C4)N(S(=O)O)S(=O)(=O)C

DOS

IR

Vibrations