Geometry & MOs

Info

ID:

97876

PubChem CID:

50036338

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-235.43

Dipole, Da:

10.7

IP(EA), eV:

 -8.83(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations