Geometry & MOs

Info

ID:	134775
PubChem CID:	51754216
Reduced:	N2O3C29H40 (1)
Stoich.:	A2B3C29D40 (1)
Weight, g/mol:	469.257671
ΔH_f, kcal/mol:	-126.73
Dipole, Da:	6.91
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=CC=C1C)C(=O)NC2CCCCC2)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations