Geometry & MOs

Info

ID:

93617

PubChem CID:

49995679

Reduced:

ClO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-201.47

Dipole, Da:

10.44

IP(EA), eV:

 -8.3(-0.52)

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-[3-methyl-4-(propanoylamino)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=CC(=C(C=C5)NC(=O)C6=CC=CC=C6Cl)C

DOS

IR

Vibrations