Geometry & MOs

Info

ID:	353382
PubChem CID:	127284758
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	4.38
IP(EA), eV:	-8.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations