Geometry & MOs

Info

ID:

117197

PubChem CID:

50594594

Reduced:

ClF2O5N6C41H49 (1)

Stoich.:

AB2C5D6E41F49 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-293.23

Dipole, Da:

4.73

IP(EA), eV:

 -9.18(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-(diethylcarbamoyl)-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations