Geometry & MOs

Info

ID:	302386
PubChem CID:	124361550
Reduced:	NO5C32H37 (1)
Stoich.:	AB5C32D37 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-182.51
Dipole, Da:	4.27
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2R)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC/C=C/C3=CC=CC=C3)CCC(=O)N4CC[C@@]5(CCCC[C@H]5C4)O

DOS

IR

Vibrations