Geometry & MOs

Info

ID:	209056
PubChem CID:	80617756
Reduced:	BrOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	269.038961
ΔH_f, kcal/mol:	27.8
Dipole, Da:	3.94
IP(EA), eV:	-8.73(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=NN=C(S2)NC)Br

DOS

IR

Vibrations