Geometry & MOs

Info

ID:	178760
PubChem CID:	76377752
Reduced:	FOC11H15 (3)
Stoich.:	ABC11D15 (3)
Weight, g/mol:	470.184659
ΔH_f, kcal/mol:	-299.29
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[1-(2-aminopropanoyl)pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(2-chloroacetyl)benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)OC(=O)C(CCCC)F)F)F

DOS

IR

Vibrations