Geometry & MOs

Info

ID:

105891

PubChem CID:

50140871

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-234.06

Dipole, Da:

11.36

IP(EA), eV:

 -8.88(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-5-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations