Geometry & MOs

Info

ID:	445501
PubChem CID:	135267396
Reduced:	FN5O6C14H18 (1)
Stoich.:	AB5C6D14E18 (1)
Weight, g/mol:	308.986081
ΔH_f, kcal/mol:	-257.7
Dipole, Da:	9.63
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dihydroxyphosphinothioyloxybenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@]([C@H](O3)CO)(O)F)O

DOS

IR

Vibrations