Geometry & MOs

Info

ID:

110463

PubChem CID:

50325519

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-227.6

Dipole, Da:

1.47

IP(EA), eV:

 -8.81(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations