Geometry & MOs

Info

ID:	174087
PubChem CID:	75721807
Reduced:	ClN3O5C28H28 (1)
Stoich.:	AB3C5D28E28 (1)
Weight, g/mol:	486.17102
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	7.94
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

DOS

IR

Vibrations