Geometry & MOs

Info

ID:	49136
PubChem CID:	11528749
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	230.975692
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	3.58
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-2-methoxybenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N3CCNC[C@@H]3NC2=O

DOS

IR

Vibrations