Geometry & MOs

Info

ID:	150655
PubChem CID:	53790349
Reduced:	O2F4H4C5 (2)
Stoich.:	A2B4C4D5 (2)
Weight, g/mol:	838.413444
ΔH_f, kcal/mol:	-561.91
Dipole, Da:	5.25
IP(EA), eV:	-11.71(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-acetylphenyl)propan-2-yl]phenyl]-3-[3-(N-[4-[4-(N-[3-(2-methoxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(C(C(OC(=O)C=CC(=O)OC)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations