Geometry & MOs

Info

ID:

115300

PubChem CID:

50517581

Reduced:

F3O5N6C42H45 (1)

Stoich.:

A3B5C6D42E45 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-295.08

Dipole, Da:

5.89

IP(EA), eV:

 -8.94(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)F

DOS

IR

Vibrations