Geometry & MOs

Info

ID:	300237
PubChem CID:	121269908
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	326.038849
ΔH_f, kcal/mol:	28.16
Dipole, Da:	4.35
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-benzylsulfanyl-2,2,3,4-tetrafluoro-3H-inden-1-one

Drug info:

PubChemData

Smile

CC(=O)N(C1=CN=C(C=C1)N2C=CC=N2)O

DOS

IR

Vibrations