Geometry & MOs

Info

ID:	184496
PubChem CID:	77169248
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	556.18109
ΔH_f, kcal/mol:	-131.81
Dipole, Da:	9.78
IP(EA), eV:	-9.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-cyclopropyl-6-oxo-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2,3,4,5-tetrahydro-1H-purin-7-yl]butyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C=C1)OC2CCN(C2=O)C3CCNCC3

DOS

IR

Vibrations