Geometry & MOs

Info

ID:	174073
PubChem CID:	75720221
Reduced:	ClN2O4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	498.155764
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	7.36
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-chlorophenyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=CC=C1)OC)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations