Geometry & MOs

Info

ID:	389763
PubChem CID:	134995074
Reduced:	NSO3C4H8 (2)
Stoich.:	ABC3D4E8 (2)
Weight, g/mol:	86.036779
ΔH_f, kcal/mol:	-250.74
Dipole, Da:	7.03
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-buta-1,3-diene-1,4-diol

Drug info:

PubChemData

Smile

COS(=O)(=O)OS(C)(C)CCC1C(=O)NC(=O)N1

DOS

IR

Vibrations