Geometry & MOs

Info

ID:

99418

PubChem CID:

50050700

Reduced:

ClF2N5O5C33H34 (1)

Stoich.:

AB2C5D5E33F34 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-239.06

Dipole, Da:

4.28

IP(EA), eV:

 -9.19(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-5-chlorophenyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations