Geometry & MOs

Info

ID:

138284

PubChem CID:

52340336

Reduced:

FSO2N4C24H28 (1)

Stoich.:

ABC2D4E24F28 (1)

Weight, g/mol:

418.189257

ΔHf, kcal/mol:

-20.35

Dipole, Da:

9.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752734

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-5-benzoyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=CC=CS4)C5CC5)F

DOS

IR

Vibrations