Geometry & MOs

Info

ID:

109245

PubChem CID:

50277976

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-266.76

Dipole, Da:

9.37

IP(EA), eV:

 -8.53(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations