Geometry & MOs

Info

ID:	223619
PubChem CID:	85335318
Reduced:	FSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	414.063518
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	3.31
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-5-(3-methoxyspiro[dioxetane-4,4'-tricyclo[3.3.1.13,7]dec-1-ene]-3-yl)phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4C(C3)C4N(C)CC5=CSC=C5)F

DOS

IR

Vibrations