Geometry & MOs

Info

ID:	145161
PubChem CID:	53472750
Reduced:	OS2N8C22H24 (1)
Stoich.:	AB2C8D22E24 (1)
Weight, g/mol:	324.04563
ΔH_f, kcal/mol:	129.1
Dipole, Da:	9.23
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-carboxyphenyl)thiophen-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN2C(=NN=C2SC3=CC4=C(C=C3)N=C(S4)NC(=O)CN5CCN(CC5)C6CC6)C=C1

DOS

IR

Vibrations