Geometry & MOs

Info

ID:	271953
PubChem CID:	103704741
Reduced:	NS2O5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	4.87
IP(EA), eV:	-9.24(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxybutan-2-ylsulfanyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C(C)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])O

DOS

IR

Vibrations