Geometry & MOs

Info

ID:

101644

PubChem CID:

50064915

Reduced:

O4F5N5H32C33 (1)

Stoich.:

A4B5C5D32E33 (1)

Weight, g/mol:

635.271939

ΔHf, kcal/mol:

-333.82

Dipole, Da:

11.83

IP(EA), eV:

 -9.06(-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-(5-fluoro-2-methylphenyl)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(=C(C=C5)F)F)F

DOS

IR

Vibrations