Geometry & MOs

Info

ID:	151465
PubChem CID:	53812415
Reduced:	O2Cl3N4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	611.005908
ΔH_f, kcal/mol:	10.91
Dipole, Da:	4.58
IP(EA), eV:	-8.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethylsulfonyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)amino]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=NC3=C(N(C(=O)N3C)C4=CC=CC=C4)O)C(Cl)(Cl)Cl

DOS

IR

Vibrations