Geometry & MOs

Info

ID:	296636
PubChem CID:	117586505
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	256.01856
ΔH_f, kcal/mol:	37.13
Dipole, Da:	8.44
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-methoxyphenyl)methyl]thiatriazol-5-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)CNC2=NN=NS2)OC

DOS

IR

Vibrations