Geometry & MOs

Info

ID:

106978

PubChem CID:

50184235

Reduced:

F3O4N5C34H42 (1)

Stoich.:

A3B4C5D34E42 (1)

Weight, g/mol:

718.329039

ΔHf, kcal/mol:

-321.27

Dipole, Da:

6.28

IP(EA), eV:

 -8.79(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(F)(F)F)C

DOS

IR

Vibrations