Geometry & MOs

Info

ID:	174184
PubChem CID:	75736079
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	486.288243
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	2.8
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-hydroxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CO1)N(C(=O)C2=CC=C(C=C2)Cl)C(C)(C)C

DOS

IR

Vibrations