Geometry & MOs

Info

ID:	252537
PubChem CID:	103112097
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	354.03275
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	5.99
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 1-[(5-bromopyridin-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=NNC1=S)CO

DOS

IR

Vibrations