Geometry & MOs

Info

ID:

92908

PubChem CID:

49990471

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

655.334539

ΔHf, kcal/mol:

-254.77

Dipole, Da:

8.96

IP(EA), eV:

 -8.37(-0.72)

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-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations