Geometry & MOs

Info

ID:	234477
PubChem CID:	92298518
Reduced:	SCl2O2N3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	255.115381
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	4.54
IP(EA), eV:	-9.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-methylpiperidin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NN=C(S1)C(C)(C)C)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations