Geometry & MOs

Info

ID:	48778
PubChem CID:	11528321
Reduced:	P2N5O34C94H163 (1)
Stoich.:	A2B5C34D94E163 (1)
Weight, g/mol:	1994.122023
ΔH_f, kcal/mol:	-1863.0
Dipole, Da:	18.61
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCC(=O)OC[C@H]([C@H]([C@@H]([C@H](C(/C=N/NC(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O)O)O)O)O)O)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O

DOS

IR

Vibrations