Geometry & MOs

Info

ID:	355441
PubChem CID:	127288504
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	57.39
Dipole, Da:	7.48
IP(EA), eV:	-9.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3CC3)N4C=NC=N4

DOS

IR

Vibrations