Geometry & MOs

Info

ID:

104764

PubChem CID:

50105356

Reduced:

N5O5C30H41 (1)

Stoich.:

A5B5C30D41 (1)

Weight, g/mol:

556.220096

ΔHf, kcal/mol:

-208.84

Dipole, Da:

6.48

IP(EA), eV:

 -8.27(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations