Geometry & MOs

Info

ID:	209098
PubChem CID:	80623502
Reduced:	SO2N3C6H11 (1)
Stoich.:	AB2C3D6E11 (1)
Weight, g/mol:	271.171834
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	4.98
IP(EA), eV:	-9.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

COCCOC1=NN=C(S1)CN

DOS

IR

Vibrations