Geometry & MOs

Info

ID:	282640
PubChem CID:	103933813
Reduced:	BrOSF2N3H8C10 (1)
Stoich.:	ABCD2E3F8G10 (1)
Weight, g/mol:	273.03944
ΔH_f, kcal/mol:	-62.19
Dipole, Da:	6.23
IP(EA), eV:	-9.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNC2=NN=CS2)OC(F)F

DOS

IR

Vibrations