Geometry & MOs

Info

ID:	253659
PubChem CID:	103119830
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	297.089561
ΔH_f, kcal/mol:	26.53
Dipole, Da:	10.02
IP(EA), eV:	-8.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyethyl)-5-(1-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NC(=NN3)SCC(=O)O

DOS

IR

Vibrations