Geometry & MOs

Info

ID:

97771

PubChem CID:

50034732

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-272.28

Dipole, Da:

9.23

IP(EA), eV:

 -8.36(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-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(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations