Geometry & MOs

Info

ID:	361619
PubChem CID:	127303885
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	36.1
Dipole, Da:	4.7
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3CC3C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations