Geometry & MOs

Info

ID:

98261

PubChem CID:

50041866

Reduced:

F3O4N5C33H36 (1)

Stoich.:

A3B4C5D33E36 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-261.4

Dipole, Da:

10.23

IP(EA), eV:

 -8.94(-0.44)

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-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C)F

DOS

IR

Vibrations