Geometry & MOs

Info

ID:	174075
PubChem CID:	75720223
Reduced:	ClN2O6C28H29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	454.238706
ΔH_f, kcal/mol:	-208.84
Dipole, Da:	8.54
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N(C2=CC=CC=C2Cl)C(C3=C(C=C(C=C3O)O)O)C(=O)NC4CCCCC4

DOS

IR

Vibrations