Geometry & MOs

Info

ID:	184202
PubChem CID:	77126521
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	292.051778
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	2.53
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(furan-2-yl)prop-2-enoylamino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C21)COC3=CC=CC=C3C(=NO)N

DOS

IR

Vibrations