Geometry & MOs

Info

ID:	271685
PubChem CID:	103688100
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	300.96846
ΔH_f, kcal/mol:	-29.25
Dipole, Da:	3.64
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CNC(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations