Geometry & MOs

Info

ID:	126289
PubChem CID:	50958645
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	308.084416
ΔH_f, kcal/mol:	-152.77
Dipole, Da:	6.82
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3E)-5-methyl-3-(3-thiophen-2-ylpyrazol-4-ylidene)-1H-1,2,4-triazol-2-yl]pyridine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)S(=O)(=O)N2CC[C@H]([C@@H](C2)O)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations