Geometry & MOs

Info

ID:

118459

PubChem CID:

50643642

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-160.49

Dipole, Da:

4.42

IP(EA), eV:

 -9.0(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations