Geometry & MOs

Info

ID:

119974

PubChem CID:

50709699

Reduced:

Cl2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

658.304574

ΔHf, kcal/mol:

-122.01

Dipole, Da:

11.22

IP(EA), eV:

 -8.6(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations