Geometry & MOs

Info

ID:

110676

PubChem CID:

50335528

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-141.43

Dipole, Da:

6.24

IP(EA), eV:

 -8.76(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations