Geometry & MOs

Info

ID:	297787
PubChem CID:	117630742
Reduced:	O2N3F4H19C27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-158.3
Dipole, Da:	7.73
IP(EA), eV:	-8.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[2-hydroxy-5-(2-methylbutan-2-yl)anilino]benzoate

Drug info:

PubChemData

Smile

CC1=CNC(=O)C2=C1C(=CN2)C3=C(C=CC(=C3)NCC4=C(C=CC=C4F)F)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations