Geometry & MOs

Info

ID:

97574

PubChem CID:

50032696

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-220.5

Dipole, Da:

7.98

IP(EA), eV:

 -8.99(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(2,6-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=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations