Geometry & MOs

Info

ID:

116183

PubChem CID:

50550170

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-213.23

Dipole, Da:

9.3

IP(EA), eV:

 -8.84(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N)Cl

DOS

IR

Vibrations