Geometry & MOs

Info

ID:

97912

PubChem CID:

50036778

Reduced:

F3O4N5C34H38 (1)

Stoich.:

A3B4C5D34E38 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-276.05

Dipole, Da:

8.62

IP(EA), eV:

 -8.76(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)F

DOS

IR

Vibrations