Geometry & MOs

Info

ID:	147971
PubChem CID:	53787632
Reduced:	S2N4O8C25H36 (1)
Stoich.:	A2B4C8D25E36 (1)
Weight, g/mol:	464.045573
ΔH_f, kcal/mol:	-296.26
Dipole, Da:	5.36
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6,6-tetrakis(2-hydroxyethyl)-4-methyl-[1,3]dithiolo[4,5-f][1,3]benzodithiole-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C)OC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C

DOS

IR

Vibrations