Geometry & MOs

Info

ID:	299424
PubChem CID:	117682948
Reduced:	N3O4C33H41 (1)
Stoich.:	A3B4C33D41 (1)
Weight, g/mol:	541.989264
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	4.74
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,5R)-5-(3-ethynyl-5-nitroindol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC)C(=O)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations