Geometry & MOs

Info

ID:	242540
PubChem CID:	97301927
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	297.94695
ΔH_f, kcal/mol:	-158.51
Dipole, Da:	6.61
IP(EA), eV:	-8.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4,5-dichloro-2-hydroxyphenyl)-1-oxopropane-2-sulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC[C@H](COC2=CC=CC=C2C(=O)N)O)OC

DOS

IR

Vibrations