Geometry & MOs

Info

ID:

107980

PubChem CID:

50226020

Reduced:

SF2O3N6C28H32 (1)

Stoich.:

AB2C3D6E28F32 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-158.09

Dipole, Da:

7.07

IP(EA), eV:

 -9.1(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations