Geometry & MOs

Info

ID:	284982
PubChem CID:	104087560
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	263.0286
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	4.57
IP(EA), eV:	-9.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-hydroxyethyl)-3-nitrothiophen-2-yl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SCC1=CC(=NC=C1)C(=O)O

DOS

IR

Vibrations