Geometry & MOs

Info

ID:

117446

PubChem CID:

50603272

Reduced:

ClN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

603.23791

ΔHf, kcal/mol:

-203.29

Dipole, Da:

4.72

IP(EA), eV:

 -8.28(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)OC

DOS

IR

Vibrations