Geometry & MOs

Info

ID:	345984
PubChem CID:	127270301
Reduced:	FNS2O4C16H20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	278.988755
ΔH_f, kcal/mol:	-193.12
Dipole, Da:	4.78
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CC2(C1)CN(C3=C2C(=CC=C3)F)S(=O)(=O)C4CCS(=O)(=O)CC4

DOS

IR

Vibrations