Geometry & MOs

Info

ID:

109942

PubChem CID:

50302673

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-230.11

Dipole, Da:

13.31

IP(EA), eV:

 -8.68(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-anilino-2-oxoethyl)-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)C(=O)N

DOS

IR

Vibrations