Geometry & MOs

Info

ID:	252115
PubChem CID:	103109240
Reduced:	SO2N3C13H25 (1)
Stoich.:	AB2C3D13E25 (1)
Weight, g/mol:	313.094167
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	2.75
IP(EA), eV:	-8.69(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)CSC1CCNCC1

DOS

IR

Vibrations