Geometry & MOs

Info

ID:

100504

PubChem CID:

50061803

Reduced:

F2N5O6C36H41 (1)

Stoich.:

A2B5C6D36E41 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-291.85

Dipole, Da:

12.66

IP(EA), eV:

 -8.69(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluorophenyl)carbamoyl]-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)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations