Geometry & MOs

Info

ID:

120256

PubChem CID:

50719995

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-193.73

Dipole, Da:

8.4

IP(EA), eV:

 -8.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-benzamido-2-fluoroanilino)-3-oxopropyl]-1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC(=C4)C)Cl

DOS

IR

Vibrations