Geometry & MOs

Info

ID:

98436

PubChem CID:

50044082

Reduced:

BrFO3N4C31H34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-143.22

Dipole, Da:

10.02

IP(EA), eV:

 -8.91(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations