Geometry & MOs

Info

ID:	342174
PubChem CID:	127264887
Reduced:	BrNS2O3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	4.28
IP(EA), eV:	-9.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[(4-methylthiadiazol-5-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCCO)Br)C=C2C(=O)NC(=S)S2

DOS

IR

Vibrations