Geometry & MOs

Info

ID:	381120
PubChem CID:	134971768
Reduced:	SO2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	41.2
Dipole, Da:	5.09
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-5-tert-butyl-2-methyl-2H-furan-5-yl]but-3-en-2-ol

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=C(C=CN=C1)SC)/N=[N+]=[N-]

DOS

IR

Vibrations