Geometry & MOs

Info

ID:

117715

PubChem CID:

50612513

Reduced:

ClFO4N5C26H29 (1)

Stoich.:

ABC4D5E26F29 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-191.28

Dipole, Da:

8.49

IP(EA), eV:

 -8.96(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-methyl-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations