Geometry & MOs

Info

ID:

95357

PubChem CID:

50008680

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-227.4

Dipole, Da:

14.48

IP(EA), eV:

 -8.77(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations