Geometry & MOs

Info

ID:	185249
PubChem CID:	77275245
Reduced:	F2O2N5H21C24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	504.141816
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	5.07
IP(EA), eV:	-9.5(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-[3-fluoro-4-(4-methoxyphenyl)sulfonylphenyl]phenoxy]-4,4-dimethylpentanoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(C2)CC3=NNC(=O)N3C4=C(C=C(C=C4)C5=C(C(=CC=C5)F)C#N)F

DOS

IR

Vibrations