Geometry & MOs

Info

ID:

103251

PubChem CID:

50071363

Reduced:

F5N5O5C34H36 (1)

Stoich.:

A5B5C5D34E36 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-425.48

Dipole, Da:

12.06

IP(EA), eV:

 -8.91(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations