Geometry & MOs

Info

ID:	57801
PubChem CID:	24277461
Reduced:	NSO3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	291.002386
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	6.14
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)CC3=CC=C(O3)C(=O)O

DOS

IR

Vibrations