Geometry & MOs

Info

ID:

101658

PubChem CID:

50064929

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-269.67

Dipole, Da:

12.09

IP(EA), eV:

 -9.1(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations