Geometry & MOs

Info

ID:

110204

PubChem CID:

50315792

Reduced:

FN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-240.03

Dipole, Da:

5.01

IP(EA), eV:

 -8.64(-0.49)

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-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations