Geometry & MOs

Info

ID:	397927
PubChem CID:	135031013
Reduced:	NSF3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	443.152144
ΔH_f, kcal/mol:	-247.97
Dipole, Da:	5.33
IP(EA), eV:	-8.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(N-phenylanilino)benzoyl]naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=C2C=CC(=C3)OC)CC(F)(F)F

DOS

IR

Vibrations