Geometry & MOs

Info

ID:

98937

PubChem CID:

50047538

Reduced:

Cl2F2O4N5C34H35 (1)

Stoich.:

A2B2C4D5E34F35 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-231.72

Dipole, Da:

10.55

IP(EA), eV:

 -8.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations