Geometry & MOs

Info

ID:	134776
PubChem CID:	51754310
Reduced:	N3O5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	469.257671
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	8.98
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-hexyl-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(C)(C)C)C(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations