Geometry & MOs

Info

ID:	208962
PubChem CID:	80607836
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	248.084416
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	5.2
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2CC(=O)N3CCCC3C2=O

DOS

IR

Vibrations