Geometry & MOs

Info

ID:	255902
PubChem CID:	103135512
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	351.9939
ΔH_f, kcal/mol:	45.39
Dipole, Da:	2.15
IP(EA), eV:	-8.66(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C1CC1)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations