Geometry & MOs

Info

ID:	174116
PubChem CID:	75725513
Reduced:	ClN3O5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-183.58
Dipole, Da:	5.89
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)C4CCC(=O)N4)OC

DOS

IR

Vibrations