Geometry & MOs

Info

ID:	159461
PubChem CID:	57280244
Reduced:	HNSC2O2F6 (1)
Stoich.:	ABCD2E2F6 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-385.59
Dipole, Da:	2.13
IP(EA), eV:	-12.33(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-4-[(5-oxo-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]butanoate

Drug info:

PubChemData

Smile

C(NS(=O)(=O)C(F)(F)F)(F)(F)F

DOS

IR

Vibrations