Geometry & MOs

Info

ID:	189863
PubChem CID:	77916167
Reduced:	P2N10O13C20H26 (1)
Stoich.:	A2B10C13D20E26 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-471.76
Dipole, Da:	19.51
IP(EA), eV:	-9.77(-3.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-4-prop-1-en-2-ylcyclopentyl)-1,3,6-trihydroxy-5-methoxyxanthen-9-one

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)N3C=NC4C3NC(NC4=O)N)O)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)[O-])[O-]

DOS

IR

Vibrations