Geometry & MOs

Info

ID:

115758

PubChem CID:

50533037

Reduced:

ClO5N6C33H41 (1)

Stoich.:

AB5C6D33E41 (1)

Weight, g/mol:

539.229932

ΔHf, kcal/mol:

-203.95

Dipole, Da:

8.51

IP(EA), eV:

 -8.63(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-methyl-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations