Geometry & MOs

Info

ID:	372801
PubChem CID:	131305032
Reduced:	ClNSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	3.41
IP(EA), eV:	-9.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-3-methylbutyl)benzene-1,3,5-triol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)Cl)C2=NC(=CS2)C=O

DOS

IR

Vibrations