Geometry & MOs

Info

ID:

109632

PubChem CID:

50292393

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-270.41

Dipole, Da:

5.73

IP(EA), eV:

 -8.51(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC)C)F

DOS

IR

Vibrations