Geometry & MOs

Info

ID:

95898

PubChem CID:

50016499

Reduced:

O4N5C28H37 (1)

Stoich.:

A4B5C28D37 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-161.22

Dipole, Da:

7.36

IP(EA), eV:

 -8.73(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N)C

DOS

IR

Vibrations