Geometry & MOs

Info

ID:	234509
PubChem CID:	92298573
Reduced:	NSO6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	260.991821
ΔH_f, kcal/mol:	-195.52
Dipole, Da:	6.34
IP(EA), eV:	-10.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CO2)C(=O)/C=C/C(=O)O

DOS

IR

Vibrations