Geometry & MOs

Info

ID:	27501
PubChem CID:	821667
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	327.076299
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	4.55
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)methyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carbodithioate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations