Geometry & MOs

Info

ID:	438355
PubChem CID:	135228089
Reduced:	NSO5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	216.154787
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	4.04
IP(EA), eV:	-10.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4,5,5-hexamethylhexanethioic S-acid

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)CC2(CC2)S(=O)(=O)ON=C)C

DOS

IR

Vibrations