Geometry & MOs

Info

ID:	208944
PubChem CID:	80606282
Reduced:	SO2N4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	304.033164
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	2.75
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1CC2=NN=C(S2)N

DOS

IR

Vibrations