Geometry & MOs

Info

ID:	321697
PubChem CID:	126666811
Reduced:	PO3C4H6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	452.141988
ΔH_f, kcal/mol:	-367.61
Dipole, Da:	1.21
IP(EA), eV:	-9.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-N-methyl-N-[(2,3,5-trifluorophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)P(=O)(O)O)C)P(=O)(O)O

DOS

IR

Vibrations