Geometry & MOs

Info

ID:

106241

PubChem CID:

50154360

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-269.03

Dipole, Da:

10.84

IP(EA), eV:

 -8.72(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations