Geometry & MOs

Info

ID:	134822
PubChem CID:	51764685
Reduced:	SN2O4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	401.304228
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	8.11
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-hexyl-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=CC=C1)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C(=C)C

DOS

IR

Vibrations