Geometry & MOs

Info

ID:	296639
PubChem CID:	117586747
Reduced:	BrSN4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	236.073182
ΔH_f, kcal/mol:	85.11
Dipole, Da:	3.77
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]thiatriazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)CCNC2=NN=NS2

DOS

IR

Vibrations