Geometry & MOs

Info

ID:

112555

PubChem CID:

50411528

Reduced:

F3N5O5H34C36 (1)

Stoich.:

A3B5C5D34E36 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-264.06

Dipole, Da:

7.45

IP(EA), eV:

 -8.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations