Geometry & MOs

Info

ID:	173919
PubChem CID:	75698152
Reduced:	ClN2O2F3C28H36 (1)
Stoich.:	AB2C2D3E28F36 (1)
Weight, g/mol:	482.16085
ΔH_f, kcal/mol:	-264.16
Dipole, Da:	5.1
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(C1=CC(=CC=C1)Cl)C(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations