Geometry & MOs

Info

ID:

95598

PubChem CID:

50010599

Reduced:

N5O5C28H37 (1)

Stoich.:

A5B5C28D37 (1)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-190.12

Dipole, Da:

4.03

IP(EA), eV:

 -8.23(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]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=CC(=C3)C(=O)NC)C)OC

DOS

IR

Vibrations