Geometry & MOs

Info

ID:	163605
PubChem CID:	58097849
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	576.153377
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	4.85
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[6-[[2-(3-ethyl-4,5-dimethoxyanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S[C@H]2[C@@H](C([C@H](C(O2)CO)O)O)N=[N+]=[N-]

DOS

IR

Vibrations