Geometry & MOs

Info

ID:

98259

PubChem CID:

50041770

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-281.85

Dipole, Da:

10.29

IP(EA), eV:

 -8.74(-0.62)

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-[(2,5-difluorophenyl)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=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F

DOS

IR

Vibrations