Geometry & MOs

Info

ID:

110462

PubChem CID:

50325518

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-178.5

Dipole, Da:

4.75

IP(EA), eV:

 -8.66(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(4-fluorophenyl)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=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations