Geometry & MOs

Info

ID:

112263

PubChem CID:

50400269

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

716.406147

ΔHf, kcal/mol:

-278.63

Dipole, Da:

7.57

IP(EA), eV:

 -8.68(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)C(=O)N6CCCCC6

DOS

IR

Vibrations