Geometry & MOs

Info

ID:

118437

PubChem CID:

50643447

Reduced:

ClN6O6C30H39 (1)

Stoich.:

AB6C6D30E39 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-251.97

Dipole, Da:

5.36

IP(EA), eV:

 -8.18(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamidoanilino)-3-oxopropyl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)OC

DOS

IR

Vibrations