Geometry & MOs

Info

ID:

107205

PubChem CID:

50195119

Reduced:

ClO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

641.318889

ΔHf, kcal/mol:

-245.51

Dipole, Da:

2.02

IP(EA), eV:

 -8.88(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations