Geometry & MOs

Info

ID:

79681

PubChem CID:

49829958

Reduced:

N2O2C27H35 (1)

Stoich.:

A2B2C27D35 (1)

Weight, g/mol:

422.139033

ΔHf, kcal/mol:

-6.69

Dipole, Da:

5.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.047555

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R)-5-benzyl-5'-fluoro-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)CN(CC[NH+]3CCOCC3)C(=O)C4=CC5=CC=CC=C5C=C4)C

DOS

IR

Vibrations