Geometry & MOs

Info

ID:

98066

PubChem CID:

50038973

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-238.08

Dipole, Da:

6.71

IP(EA), eV:

 -8.36(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations