Geometry & MOs

Info

ID:

91936

PubChem CID:

49980589

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

535.279469

ΔHf, kcal/mol:

-221.48

Dipole, Da:

6.86

IP(EA), eV:

 -8.99(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations