Geometry & MOs

Info

ID:	175938
PubChem CID:	75970487
Reduced:	P3N6O18C23H31 (1)
Stoich.:	A3B6C18D23E31 (1)
Weight, g/mol:	2209.395331
ΔH_f, kcal/mol:	-838.75
Dipole, Da:	18.21
IP(EA), eV:	-9.1(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)[O-]

DOS

IR

Vibrations