Geometry & MOs

Info

ID:

115400

PubChem CID:

50521880

Reduced:

BrCl2O4N5C28H34 (1)

Stoich.:

AB2C4D5E28F34 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-174.59

Dipole, Da:

7.29

IP(EA), eV:

 -9.02(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)Cl)Cl

DOS

IR

Vibrations