Geometry & MOs

Info

ID:	324112
PubChem CID:	126676941
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	240.073262
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	6.57
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-fluoro-3,3-dimethylcyclohexa-1,5-dien-1-yl)-2-imino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations