Geometry & MOs

Info

ID:

325841

PubChem CID:

126685258

Reduced:

ClFN4O4C36H46 (1)

Stoich.:

ABC4D4E36F46 (1)

Weight, g/mol:

505.234349

ΔHf, kcal/mol:

-142.8

Dipole, Da:

3.9

IP(EA), eV:

 -8.36(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methylcyclopropyl) 4-[1-(4-chlorophenyl)-3-(cyclopentylamino)-2-(methoxycarbonylamino)-3-oxopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC(CCO1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCN4CC#C5)NC(=O)OC

DOS

IR

Vibrations