Geometry & MOs

Info

ID:	229890
PubChem CID:	87569453
Reduced:	N2O2S2C9H16 (1)
Stoich.:	A2B2C2D9E16 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	7.68
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2,10-dimethylundecanedioic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=S)SCCCN)C(=O)O

DOS

IR

Vibrations