Geometry & MOs

Info

ID:	134972
PubChem CID:	51791484
Reduced:	ClN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	539.29147
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	4.64
IP(EA), eV:	-9.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-N-[(1S)-1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]anilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=CC(=CC=C2)O)C(=O)NC(C)(C)C

DOS

IR

Vibrations