Geometry & MOs

Info

ID:	53474
PubChem CID:	14716238
Reduced:	ClNO2C17H21 (2)
Stoich.:	ABC2D17E21 (2)
Weight, g/mol:	860.583401
ΔH_f, kcal/mol:	-170.65
Dipole, Da:	3.5
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-tert-butylphenoxy)tetradecanoylamino]-5-chloro-2-hydroxyphenyl]-4-hexadecoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=CC(=C2)C)O)OC3=CC=CC=C3Cl

DOS

IR

Vibrations