Geometry & MOs

Info

ID:

96400

PubChem CID:

50020620

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-276.78

Dipole, Da:

6.56

IP(EA), eV:

 -8.8(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations