Geometry & MOs

Info

ID:

106458

PubChem CID:

50164307

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

690.390497

ΔHf, kcal/mol:

-282.29

Dipole, Da:

8.61

IP(EA), eV:

 -8.99(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-3-oxopropyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations