Geometry & MOs

Info

ID:	296635
PubChem CID:	117586443
Reduced:	SN4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	78.62
Dipole, Da:	7.92
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]thiatriazol-5-amine

Drug info:

PubChemData

Smile

CN(C1CCC1)C2=NN=NS2

DOS

IR

Vibrations