Geometry & MOs

Info

ID:

105966

PubChem CID:

50144506

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-205.29

Dipole, Da:

4.66

IP(EA), eV:

 -8.55(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C

DOS

IR

Vibrations