Geometry & MOs

Info

ID:	228631
PubChem CID:	87565450
Reduced:	SN5O5C26H29 (1)
Stoich.:	AB5C5D26E29 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	6.01
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-3-(oxiran-2-ylmethyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)CCC(N4)C5=CC=C(S5)OC(=O)O

DOS

IR

Vibrations