Geometry & MOs

Info

ID:	134803
PubChem CID:	51758286
Reduced:	N2O3C23H38 (1)
Stoich.:	A2B3C23D38 (1)
Weight, g/mol:	525.320271
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	4.09
IP(EA), eV:	-9.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-2-hydroxy-N-[(1S)-1-(2-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1CCCCC1)C(=O)NC(C)(C)C)C(=O)C2=CC=CO2

DOS

IR

Vibrations