Geometry & MOs

Info

ID:	221730
PubChem CID:	85286085
Reduced:	P2N5O14C19H31 (1)
Stoich.:	A2B5C14D19E31 (1)
Weight, g/mol:	615.113393
ΔH_f, kcal/mol:	-695.03
Dipole, Da:	1.75
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-(5-methylsulfanylimidazo[4,5-d][1,2]thiazol-6-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC(C)OC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O

DOS

IR

Vibrations