Geometry & MOs

Info

ID:	167676
PubChem CID:	74857397
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	65.63
Dipole, Da:	5.6
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazolidin-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)SC3=CC=C(C=C3)C(=NO)N

DOS

IR

Vibrations