Geometry & MOs

Info

ID:	375269
PubChem CID:	131485261
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	292.96802
ΔH_f, kcal/mol:	-56.05
Dipole, Da:	3.27
IP(EA), eV:	-10.47(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3-cyanopropoxy)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(CC#N)(CO)C1CCCCCC1

DOS

IR

Vibrations