Geometry & MOs

Info

ID:	134819
PubChem CID:	51763773
Reduced:	N2O2C23H46 (1)
Stoich.:	A2B2C23D46 (1)
Weight, g/mol:	535.377392
ΔH_f, kcal/mol:	-193.85
Dipole, Da:	2.74
IP(EA), eV:	-9.33(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-hexylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](CCCCC)C(=O)NC(C)(C)C)C(=O)CCCCC

DOS

IR

Vibrations