Geometry & MOs

Info

ID:	277665
PubChem CID:	103830250
Reduced:	BrNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	4.35
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-bromo-3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)CNCCS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations