Geometry & MOs

Info

ID:	337663
PubChem CID:	127258286
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	231.013619
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	1.88
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=C\C1=C(C=CC(=C1)Br)O)/C=O

DOS

IR

Vibrations