Geometry & MOs

Info

ID:	31589
PubChem CID:	855908
Reduced:	ClNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	206.04399
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	3.56
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(tetrazol-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations