Geometry & MOs

Info

ID:	174327
PubChem CID:	75752849
Reduced:	Cl2N2O2C25H28 (1)
Stoich.:	A2B2C2D25E28 (1)
Weight, g/mol:	470.278072
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	2.05
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2,3-dihydroxy-N-[1-(2-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=CC=C1Cl)Cl)N(C(=O)C#CC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations