Geometry & MOs

Info

ID:

96457

PubChem CID:

50021124

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-267.97

Dipole, Da:

12.69

IP(EA), eV:

 -8.72(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-fluorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations