Geometry & MOs

Info

ID:

113656

PubChem CID:

50454033

Reduced:

ClFO3N4C29H30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-137.19

Dipole, Da:

7.86

IP(EA), eV:

 -8.93(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(3-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations