Geometry & MOs

Info

ID:	205626
PubChem CID:	80128713
Reduced:	SO2N4C9H10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	4.52
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N2)SCC(=O)O

DOS

IR

Vibrations