Geometry & MOs

Info

ID:

101390

PubChem CID:

50064656

Reduced:

F3O5N6C37H41 (1)

Stoich.:

A3B5C6D37E41 (1)

Weight, g/mol:

692.293403

ΔHf, kcal/mol:

-311.61

Dipole, Da:

6.72

IP(EA), eV:

 -8.7(-0.77)

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-[2-fluoro-5-(propanoylamino)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)NC(=O)C(C)C)F

DOS

IR

Vibrations