Geometry & MOs

Info

ID:	126108
PubChem CID:	50951908
Reduced:	OS2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	338.093643
ΔH_f, kcal/mol:	12.61
Dipole, Da:	7.94
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-(4-acetylphenyl)sulfonyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SN=N1)CN(C)C(=O)C2=C(N=C(S2)C(C)C)C

DOS

IR

Vibrations