Geometry & MOs

Info

ID:

92931

PubChem CID:

49990562

Reduced:

ClF3O4N5C35H43 (1)

Stoich.:

AB3C4D5E35F43 (1)

Weight, g/mol:

605.337733

ΔHf, kcal/mol:

-331.03

Dipole, Da:

8.12

IP(EA), eV:

 -9.08(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations