Geometry & MOs

Info

ID:	284461
PubChem CID:	104047199
Reduced:	NO6C11H13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	335.023036
ΔH_f, kcal/mol:	-166.86
Dipole, Da:	5.06
IP(EA), eV:	-9.96(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-nitro-2-(oxolan-2-ylmethoxy)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(C)(C(=O)O)O

DOS

IR

Vibrations