Geometry & MOs

Info

ID:	26708
PubChem CID:	794709
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	235.02379
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	6.35
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-phenyl-5H-[1,3]thiazolo[4,3-b][1,3,4]thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N=CC2=CC(=C(C=C2OC)OC)Br)C

DOS

IR

Vibrations