Geometry & MOs

Info

ID:	387606
PubChem CID:	134986093
Reduced:	OS2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	258.061612
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	3.33
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-1-diazonio-4,4,4-trifluoro-3-methoxy-3-phenylbut-1-en-2-olate

Drug info:

PubChemData

Smile

CCC(=S)C1CCSC1=O

DOS

IR

Vibrations