Geometry & MOs

Info

ID:	144090
PubChem CID:	53310294
Reduced:	ON2F3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	670.203862
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	5.27
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[4-(4-cyanoanilino)phenyl]sulfonyl-2,2-diphenyl-3H-furan-5-yl]anilino]benzonitrile

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N(C)CC#CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations