Geometry & MOs

Info

ID:	184111
PubChem CID:	77111445
Reduced:	FOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	306.04967
ΔH_f, kcal/mol:	-27.21
Dipole, Da:	4.07
IP(EA), eV:	-8.87(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazolidin-5-ylidene]thiophen-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC2=NC(=O)C(C(=N2)C)F

DOS

IR

Vibrations