Geometry & MOs

Info

ID:	135139
PubChem CID:	51822096
Reduced:	N2O3C24H40 (1)
Stoich.:	A2B3C24D40 (1)
Weight, g/mol:	416.340279
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	3.92
IP(EA), eV:	-8.78(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N([C@@H](C1=CC=C(C=C1)O)C(=O)NCCCC)C(C)(C)C

DOS

IR

Vibrations