Geometry & MOs

Info

ID:	134840
PubChem CID:	51766657
Reduced:	NOC10H20 (2)
Stoich.:	ABC10D20 (2)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	1.72
IP(EA), eV:	-9.63(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1S)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-methyl-2,3-diphenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](CCCCC)C(=O)NCCCC)C(=O)CC

DOS

IR

Vibrations