Geometry & MOs

Info

ID:	83975
PubChem CID:	49862998
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	352.113316
ΔH_f, kcal/mol:	1.93
Dipole, Da:	10.32
IP(EA), eV:	-9.53(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyphenyl)-5-phenylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=CN=N2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations