Geometry & MOs

Info

ID:

109055

PubChem CID:

50270998

Reduced:

F4O5N6C42H44 (1)

Stoich.:

A4B5C6D42E44 (1)

Weight, g/mol:

762.371653

ΔHf, kcal/mol:

-331.26

Dipole, Da:

11.97

IP(EA), eV:

 -8.8(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F

DOS

IR

Vibrations