Geometry & MOs

Info

ID:

103816

PubChem CID:

50074006

Reduced:

FN5O6C35H42 (1)

Stoich.:

AB5C6D35E42 (1)

Weight, g/mol:

752.313389

ΔHf, kcal/mol:

-257.79

Dipole, Da:

10.69

IP(EA), eV:

 -8.61(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations