Geometry & MOs

Info

ID:	349975
PubChem CID:	127276780
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	322.157581
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	3.81
IP(EA), eV:	-9.01(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC#N)C(=O)N2CCSCC2

DOS

IR

Vibrations