Geometry & MOs

Info

ID:	337664
PubChem CID:	127258287
Reduced:	O2S2N3C7H9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	231.013619
ΔH_f, kcal/mol:	21.36
Dipole, Da:	4.04
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyloxyimino]butanal

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SO/N=C(\C)/CC=O

DOS

IR

Vibrations