Geometry & MOs

Info

ID:

113237

PubChem CID:

50436841

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-222.01

Dipole, Da:

7.93

IP(EA), eV:

 -8.43(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations