Geometry & MOs

Info

ID:

97307

PubChem CID:

50030017

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-186.74

Dipole, Da:

5.69

IP(EA), eV:

 -8.93(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-(dimethylcarbamoyl)-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)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations