Geometry & MOs

Info

ID:	290464
PubChem CID:	104588458
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	228.035734
ΔH_f, kcal/mol:	-133.75
Dipole, Da:	8.46
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyphenyl)sulfanylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CC1CNC(=O)CSCC(=O)O

DOS

IR

Vibrations