Geometry & MOs

Info

ID:	54545
PubChem CID:	17388868
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	449.01975
ΔH_f, kcal/mol:	20.93
Dipole, Da:	1.07
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3NN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations