Geometry & MOs

Info

ID:

100457

PubChem CID:

50061627

Reduced:

Cl2F2O4N5C34H35 (1)

Stoich.:

A2B2C4D5E34F35 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-227.31

Dipole, Da:

14.37

IP(EA), eV:

 -8.91(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(4-propan-2-ylphenyl)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)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations