Geometry & MOs

Info

ID:	340557
PubChem CID:	127262568
Reduced:	FNOSC8H10 (1)
Stoich.:	ABCDE8F10 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	4.8
IP(EA), eV:	-9.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4aR,8aS)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)SC[C@@]1(C[C@H]1F)CC#N

DOS

IR

Vibrations