Geometry & MOs

Info

ID:	356378
PubChem CID:	127291451
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	7.29
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations