Geometry & MOs

Info

ID:

98902

PubChem CID:

50047169

Reduced:

F3O5N6C36H41 (1)

Stoich.:

A3B5C6D36E41 (1)

Weight, g/mol:

680.293403

ΔHf, kcal/mol:

-310.09

Dipole, Da:

10.11

IP(EA), eV:

 -8.54(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations