Geometry & MOs

Info

ID:	226510
PubChem CID:	87457729
Reduced:	SN3O3F6C21H25 (1)
Stoich.:	AB3C3D6E21F25 (1)
Weight, g/mol:	488.174591
ΔH_f, kcal/mol:	-440.97
Dipole, Da:	2.41
IP(EA), eV:	-9.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-[ethyl(4-hydroxybutyl)carbamoyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]butanoic acid

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CCCCC2C3C(CS2)NC(=O)N3

DOS

IR

Vibrations