Geometry & MOs

Info

ID:	29963
PubChem CID:	838594
Reduced:	N2O2S2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	1.88
IP(EA), eV:	-8.76(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2-[2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=O)/C(=C\C3=CC=CS3)/NC2=S

DOS

IR

Vibrations