Geometry & MOs

Info

ID:	322592
PubChem CID:	126670579
Reduced:	FSO3N6H27C34 (1)
Stoich.:	ABC3D6E27F34 (1)
Weight, g/mol:	145.067369
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	12.7
IP(EA), eV:	-8.87(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-5H-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)N4CCC(C4C(=O)NC5=CC=CC=C5C6=NC7=CC=CC=C7S6)F

DOS

IR

Vibrations