Geometry & MOs

Info

ID:	356379
PubChem CID:	127291452
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	2.22
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations