Geometry & MOs

Info

ID:

96925

PubChem CID:

50025915

Reduced:

N6O6C41H54 (1)

Stoich.:

A6B6C41D54 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-234.37

Dipole, Da:

5.62

IP(EA), eV:

 -8.53(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations