Geometry & MOs

Info

ID:	73724
PubChem CID:	48420093
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-138.46
Dipole, Da:	9.83
IP(EA), eV:	-9.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCCN2C=NC=N2)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations