Geometry & MOs

Info

ID:

114179

PubChem CID:

50473420

Reduced:

FN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-181.31

Dipole, Da:

6.47

IP(EA), eV:

 -8.43(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations