Geometry & MOs

Info

ID:	436045
PubChem CID:	135193531
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	367.97516
ΔH_f, kcal/mol:	-189.17
Dipole, Da:	3.25
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-(3-hydroxy-2,2-dimethylpropoxy)sulfanylbenzenesulfinic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)C)CC(=O)OCC)C

DOS

IR

Vibrations