Geometry & MOs

Info

ID:

95381

PubChem CID:

50008893

Reduced:

F3O4N5C28H32 (1)

Stoich.:

A3B4C5D28E32 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-273.89

Dipole, Da:

7.6

IP(EA), eV:

 -9.0(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations