Geometry & MOs

Info

ID:	439406
PubChem CID:	135229180
Reduced:	SO2F3N6C16H17 (1)
Stoich.:	AB2C3D6E16F17 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-119.71
Dipole, Da:	10.1
IP(EA), eV:	-9.69(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CC2)C3=NC4=CC(=NN=C4N3C)C(F)(F)F

DOS

IR

Vibrations