Geometry & MOs

Info

ID:

101149

PubChem CID:

50064408

Reduced:

FN5O6C33H36 (1)

Stoich.:

AB5C6D33E36 (1)

Weight, g/mol:

655.16057

ΔHf, kcal/mol:

-239.11

Dipole, Da:

9.26

IP(EA), eV:

 -8.37(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations