Geometry & MOs

Info

ID:	300239
PubChem CID:	121269910
Reduced:	FNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	253.057278
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	4.33
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(7-fluoro-3-oxo-1,2-dihydroinden-4-yl)] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC(=CC=C1)F)O

DOS

IR

Vibrations