Geometry & MOs

Info

ID:	391188
PubChem CID:	135003438
Reduced:	FO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	219.002386
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	0.51
IP(EA), eV:	-10.27(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dithian-2-ylidene)-1-nitropropan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=CC1CCCCC1)F

DOS

IR

Vibrations