Geometry & MOs

Info

ID:	434452
PubChem CID:	135174950
Reduced:	P2S2F3O9N10C20H23 (1)
Stoich.:	A2B2C3D9E10F20G23 (1)
Weight, g/mol:	224.056209
ΔH_f, kcal/mol:	-541.91
Dipole, Da:	12.47
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(E)-aminomethylideneamino]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

Smile

C1[C@@H](O[C@@H](C1(F)F)COP(=S)(O)O[C@@H]2[C@H](OCC2(N3C=NC4=C(N=CN=C43)N)F)COP(=S)(O)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations