Geometry & MOs

Info

ID:	442697
PubChem CID:	135255829
Reduced:	SO6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	6.06
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)pyridin-2-yl]methyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3COS(=O)(=O)OC3

DOS

IR

Vibrations