Geometry & MOs

Info

ID:	30005
PubChem CID:	838850
Reduced:	BrON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	47.07
Dipole, Da:	3.81
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=C2)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations