Geometry & MOs

Info

ID:

110199

PubChem CID:

50315787

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-278.09

Dipole, Da:

8.15

IP(EA), eV:

 -8.85(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations