Geometry & MOs

Info

ID:	188537
PubChem CID:	77729858
Reduced:	FO3N5C10H14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	522.132442
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	2.55
IP(EA), eV:	-9.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3,5-dichloro-4-[3-(1-cyclohexylethylcarbamoyl)-4-hydroxyphenoxy]anilino]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1C(C(C(O1)N2C=NC3(C2=NCN=C3N)F)O)O

DOS

IR

Vibrations