Geometry & MOs

Info

ID:	34308
PubChem CID:	7890714
Reduced:	ClNSO6H14C16 (1)
Stoich.:	ABCD6E14F16 (1)
Weight, g/mol:	305.98916
ΔH_f, kcal/mol:	-187.03
Dipole, Da:	4.19
IP(EA), eV:	-9.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)methyl 2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations