Geometry & MOs

Info

ID:	405116
PubChem CID:	135072640
Reduced:	SN5O6H39C48 (1)
Stoich.:	AB5C6D39E48 (1)
Weight, g/mol:	299.173273
ΔH_f, kcal/mol:	5.91
Dipole, Da:	4.85
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C5C(=NC=N4)N(C=N5)C6[C@H]7[C@@H]([C@H](O6)COC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)OS(=O)(=O)O7

DOS

IR

Vibrations