Geometry & MOs

Info

ID:	134791
PubChem CID:	51755941
Reduced:	NOC17H23 (2)
Stoich.:	ABC17D23 (2)
Weight, g/mol:	540.302179
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	6.78
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-hexyl-N-[(1S)-1-(4-methylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]oct-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)NC(C)(C)C)C(=O)/C=C/CCCCC

DOS

IR

Vibrations