Geometry & MOs

Info

ID:	296699
PubChem CID:	117589042
Reduced:	ClSN2O2C17H25 (1)
Stoich.:	ABC2D2E17F25 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	4.35
IP(EA), eV:	-8.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylphenyl)-5-morpholin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(=NCC1)[NH+](CC2=CC=CC=C2)C3CCS(=O)(=O)C3.[Cl-]

DOS

IR

Vibrations