Geometry & MOs

Info

ID:	433681
PubChem CID:	135173821
Reduced:	N3C25H25 (1)
Stoich.:	A3B25C25 (1)
Weight, g/mol:	184.055801
ΔH_f, kcal/mol:	70.06
Dipole, Da:	3.48
IP(EA), eV:	-8.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylcyclopropyl)thiolane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3C)C4=CC=CC(=C4C)C

DOS

IR

Vibrations