Geometry & MOs

Info

ID:	231302
PubChem CID:	87573429
Reduced:	ClSO3N5C9H10 (1)
Stoich.:	ABC3D5E9F10 (1)
Weight, g/mol:	267.04261
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	4.75
IP(EA), eV:	-9.18(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-acetyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=N1)C[NH+]2N=CC(=N2)NC(=O)O.[Cl-]

DOS

IR

Vibrations