Geometry & MOs

Info

ID:	361623
PubChem CID:	127303906
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	8.06
IP(EA), eV:	-9.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations