Geometry & MOs

Info

ID:

101749

PubChem CID:

50065021

Reduced:

BrF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

619.280612

ΔHf, kcal/mol:

-213.56

Dipole, Da:

12.51

IP(EA), eV:

 -8.79(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations