Geometry & MOs

Info

ID:

114919

PubChem CID:

50501968

Reduced:

Cl2O5N6C25H28 (1)

Stoich.:

A2B5C6D25E28 (1)

Weight, g/mol:

590.181124

ΔHf, kcal/mol:

-183.79

Dipole, Da:

9.48

IP(EA), eV:

 -8.96(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations