Geometry & MOs

Info

ID:	255741
PubChem CID:	103134395
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	318.032872
ΔH_f, kcal/mol:	133.25
Dipole, Da:	2.13
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=NN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations