Geometry & MOs

Info

ID:

115093

PubChem CID:

50509003

Reduced:

ClN5O6C29H36 (1)

Stoich.:

AB5C6D29E36 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-226.23

Dipole, Da:

3.63

IP(EA), eV:

 -8.12(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations