Geometry & MOs

Info

ID:	134805
PubChem CID:	51759896
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-125.2
Dipole, Da:	5.18
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-hexyl-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=CC=C1)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations