Geometry & MOs

Info

ID:	252105
PubChem CID:	103109158
Reduced:	SO2N3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	312.110151
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	4.44
IP(EA), eV:	-8.87(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1CSCN1

DOS

IR

Vibrations