Geometry & MOs

Info

ID:	140758
PubChem CID:	52754453
Reduced:	SO3N6C20H26 (1)
Stoich.:	AB3C6D20E26 (1)
Weight, g/mol:	469.257671
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	9.67
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2R)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidin-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=NN4

DOS

IR

Vibrations