Geometry & MOs

Info

ID:	174074
PubChem CID:	75720222
Reduced:	ClN2O6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	524.171414
ΔH_f, kcal/mol:	-214.95
Dipole, Da:	7.09
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=C(C=C(C=C1O)O)O)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations