Geometry & MOs

Info

ID:

117708

PubChem CID:

50612317

Reduced:

ClF3O4N5C27H29 (1)

Stoich.:

AB3C4D5E27F29 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-305.55

Dipole, Da:

5.83

IP(EA), eV:

 -9.18(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[1-[2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]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=C(C=C4)C(F)(F)F

DOS

IR

Vibrations