Geometry & MOs

Info

ID:	320572
PubChem CID:	126661805
Reduced:	OSN2C29H32 (1)
Stoich.:	ABC2D29E32 (1)
Weight, g/mol:	274.957455
ΔH_f, kcal/mol:	65.22
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methylisoquinoline-5-sulfonyl chloride

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1C2CCCC3(C2)CCNCC3)C(=O)C4=CC5CC5C(=N4)C6=CC=CS6

DOS

IR

Vibrations