Geometry & MOs

Info

ID:

120336

PubChem CID:

50723438

Reduced:

Cl2O4N5C28H33 (1)

Stoich.:

A2B4C5D28E33 (1)

Weight, g/mol:

573.19096

ΔHf, kcal/mol:

-159.24

Dipole, Da:

7.23

IP(EA), eV:

 -9.15(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations