Geometry & MOs

Info

ID:	424875
PubChem CID:	135124292
Reduced:	SO4N6C34H42 (1)
Stoich.:	AB4C6D34E42 (1)
Weight, g/mol:	159.986401
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	10.1
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethanol;sulfurothioic O-acid

Drug info:

PubChemData

Smile

CCCN1C=C(N=N1)COC(C2=CC(=C(C=C2)C)CN3C[C@H](CC4=CC=CC=C4S3(=O)=O)C)C(C)(C)C(=O)NC5=CN=CC=C5

DOS

IR

Vibrations