Geometry & MOs

Info

ID:

98979

PubChem CID:

50047740

Reduced:

ClF2O5N6C42H43 (1)

Stoich.:

AB2C5D6E42F43 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-238.1

Dipole, Da:

5.25

IP(EA), eV:

 -9.01(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations