Geometry & MOs

Info

ID:	346239
PubChem CID:	127270743
Reduced:	SN2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	362.098352
ΔH_f, kcal/mol:	107.08
Dipole, Da:	4.92
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-cyclopropyl-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1CCC2=NC(=C(C=C2C1)C#N)SCC3=CN4C=CSC4=N3

DOS

IR

Vibrations