Geometry & MOs

Info

ID:	174085
PubChem CID:	75721569
Reduced:	Cl2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	509.171749
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2-hydroxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)O)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations