Geometry & MOs

Info

ID:

109953

PubChem CID:

50302945

Reduced:

FN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-189.35

Dipole, Da:

11.18

IP(EA), eV:

 -8.35(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C)C)F

DOS

IR

Vibrations