Geometry & MOs

Info

ID:	363659
PubChem CID:	127312365
Reduced:	NOSF2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	5.27
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1C(=O)N2CCC3=C2C=C(C=C3F)F

DOS

IR

Vibrations