Geometry & MOs

Info

ID:

96270

PubChem CID:

50019540

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-274.47

Dipole, Da:

10.47

IP(EA), eV:

 -8.72(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(4-methylbenzoyl)amino]anilino]-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=C(C=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations