Geometry & MOs

Info

ID:	436408
PubChem CID:	135200343
Reduced:	ClNS2O4C24H24 (1)
Stoich.:	ABC2D4E24F24 (1)
Weight, g/mol:	265.073038
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	3.3
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-ethylphenyl)-N-oxo-1,2-dihydrotriazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)CCCC2=C(C3=CSC=C3S2)C(=O)NC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations