Geometry & MOs

Info

ID:	134770
PubChem CID:	51753728
Reduced:	SN2O6C27H32 (1)
Stoich.:	AB2C6D27E32 (1)
Weight, g/mol:	526.319543
ΔH_f, kcal/mol:	-187.29
Dipole, Da:	5.46
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1R)-2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-hexyl-2,3-diphenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC=CO1)[C@H](C2=CC=C(C=C2)OC)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations