Geometry & MOs

Info

ID:

102481

PubChem CID:

50067710

Reduced:

F2N5O5C36H41 (1)

Stoich.:

A2B5C5D36E41 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-262.78

Dipole, Da:

12.98

IP(EA), eV:

 -8.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations