Geometry & MOs

Info

ID:

120173

PubChem CID:

50716500

Reduced:

Cl2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-181.36

Dipole, Da:

10.73

IP(EA), eV:

 -9.23(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations