Geometry & MOs

Info

ID:	195481
PubChem CID:	78693237
Reduced:	SO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	308.050715
ΔH_f, kcal/mol:	24.06
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.153031
Charge, e:	0

Chem-info

IUPAC name:

5-(3-naphthalen-2-ylprop-2-enoyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C=CC(=O)C3=CC=C(S3)C(=O)[O-]

DOS

IR

Vibrations