Geometry & MOs

Info

ID:	336593
PubChem CID:	127255600
Reduced:	N3O15C17H25 (1)
Stoich.:	A3B15C17D25 (1)
Weight, g/mol:	706.350608
ΔH_f, kcal/mol:	-665.01
Dipole, Da:	8.38
IP(EA), eV:	-10.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O

DOS

IR

Vibrations