Geometry & MOs

Info

ID:

94243

PubChem CID:

49999264

Reduced:

F2O4N5C35H45 (1)

Stoich.:

A2B4C5D35E45 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-264.56

Dipole, Da:

6.9

IP(EA), eV:

 -8.77(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations