Geometry & MOs

Info

ID:	167770
PubChem CID:	74872218
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	277.040879
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	3.71
IP(EA), eV:	-8.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)NC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations