Geometry & MOs

Info

ID:

97924

PubChem CID:

50036802

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-273.84

Dipole, Da:

1.13

IP(EA), eV:

 -9.11(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(phenylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations