Geometry & MOs

Info

ID:	53475
PubChem CID:	14716245
Reduced:	ClN2O5C53H81 (1)
Stoich.:	AB2C5D53E81 (1)
Weight, g/mol:	645.333335
ΔH_f, kcal/mol:	-290.71
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[5-chloro-4-[2-(4-cyanophenoxy)tetradecanoylamino]-2-hydroxyphenyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CCCCCCCCCCCC)OC3=CC=C(C=C3)C(C)(C)C)O

DOS

IR

Vibrations