Geometry & MOs

Info

ID:	284849
PubChem CID:	104076930
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	277.034354
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	5.28
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-hydroxyethyl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)SCCO)O

DOS

IR

Vibrations