Geometry & MOs

Info

ID:	142329
PubChem CID:	53017820
Reduced:	FNSO4H26C27 (1)
Stoich.:	ABCD4E26F27 (1)
Weight, g/mol:	436.093146
ΔH_f, kcal/mol:	-139.19
Dipole, Da:	7.86
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)CC4=CC=C(C=C4)F)O

DOS

IR

Vibrations