Geometry & MOs

Info

ID:

93817

PubChem CID:

49996927

Reduced:

F3N5O5C35H46 (1)

Stoich.:

A3B5C5D35E46 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-384.74

Dipole, Da:

7.06

IP(EA), eV:

 -9.12(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations