Geometry & MOs

Info

ID:	230670
PubChem CID:	87571614
Reduced:	O3N5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	166.066365
ΔH_f, kcal/mol:	-28.55
Dipole, Da:	5.28
IP(EA), eV:	-8.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyhexane-2-sulfinic acid

Drug info:

PubChemData

Smile

CCN(CCOC)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC(=N2)OC)NC(C)C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations