Geometry & MOs

Info

ID:	230173
PubChem CID:	87570353
Reduced:	O4C6H9 (2)
Stoich.:	A4B6C9 (2)
Weight, g/mol:	310.036723
ΔH_f, kcal/mol:	-377.17
Dipole, Da:	3.92
IP(EA), eV:	-11.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-dithiocarboxysulfanylpropanoic acid;2-methylidenehexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)OC(=O)CC(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations