Geometry & MOs

Info

ID:

115298

PubChem CID:

50517477

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-203.82

Dipole, Da:

12.01

IP(EA), eV:

 -8.86(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations