Geometry & MOs

Info

ID:

108950

PubChem CID:

50266041

Reduced:

FN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-208.13

Dipole, Da:

9.56

IP(EA), eV:

 -8.64(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations