Geometry & MOs

Info

ID:	73746
PubChem CID:	48420296
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	364.050923
ΔH_f, kcal/mol:	31.54
Dipole, Da:	7.87
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)OCCN3C=NC=N3

DOS

IR

Vibrations