Geometry & MOs

Info

ID:

92933

PubChem CID:

49990567

Reduced:

F2O4N5C34H43 (1)

Stoich.:

A2B4C5D34E43 (1)

Weight, g/mol:

619.353383

ΔHf, kcal/mol:

-262.31

Dipole, Da:

5.57

IP(EA), eV:

 -8.9(-0.39)

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-fluoro-4-methylphenyl)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=CC(=C(C=C5)F)F

DOS

IR

Vibrations