Geometry & MOs

Info

ID:	134812
PubChem CID:	51761784
Reduced:	N2O5C28H38 (1)
Stoich.:	A2B5C28D38 (1)
Weight, g/mol:	498.255229
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	2.61
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-3-methyl-N-[(1S)-1-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]but-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)OC)C(=O)NCCCC)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations