Geometry & MOs

Info

ID:

93693

PubChem CID:

49996105

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-240.39

Dipole, Da:

6.56

IP(EA), eV:

 -8.85(-0.63)

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-[2-methyl-4-[(2-methylphenyl)carbamoyl]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=C(C=C5)C(=O)NC6=CC=C(C=C6)F)C

DOS

IR

Vibrations