Geometry & MOs

Info

ID:

100299

PubChem CID:

50059679

Reduced:

F2O5N6C44H48 (1)

Stoich.:

A2B5C6D44E48 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-254.35

Dipole, Da:

9.18

IP(EA), eV:

 -8.63(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-(2-methylbutanoylamino)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)C)C)C)F

DOS

IR

Vibrations