Geometry & MOs

Info

ID:	323194
PubChem CID:	126673402
Reduced:	S2O3N5C24H29 (1)
Stoich.:	A2B3C5D24E29 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	5.82
IP(EA), eV:	-8.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-octa-1,7-diyn-4-ylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations