Geometry & MOs

Info

ID:

106707

PubChem CID:

50173249

Reduced:

F3O4N5C34H44 (1)

Stoich.:

A3B4C5D34E44 (1)

Weight, g/mol:

637.303097

ΔHf, kcal/mol:

-342.53

Dipole, Da:

5.47

IP(EA), eV:

 -8.88(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations