Geometry & MOs

Info

ID:

93592

PubChem CID:

49995617

Reduced:

FO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

655.334539

ΔHf, kcal/mol:

-222.49

Dipole, Da:

7.92

IP(EA), eV:

 -8.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations