Geometry & MOs

Info

ID:	389785
PubChem CID:	134995234
Reduced:	SN3P3C9H12O13 (1)
Stoich.:	AB3C3D9E12F13 (1)
Weight, g/mol:	200.156501
ΔH_f, kcal/mol:	-529.14
Dipole, Da:	5.77
IP(EA), eV:	-9.94(-2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diethyl-2,3-dimethyl-1H-indene

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O

DOS

IR

Vibrations