Geometry & MOs

Info

ID:

109565

PubChem CID:

50288609

Reduced:

ClFO5N6C40H40 (1)

Stoich.:

ABC5D6E40F40 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-179.26

Dipole, Da:

14.7

IP(EA), eV:

 -8.66(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6)Cl

DOS

IR

Vibrations