Geometry & MOs

Info

ID:

113548

PubChem CID:

50449942

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-223.87

Dipole, Da:

5.51

IP(EA), eV:

 -8.66(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations