Geometry & MOs

Info

ID:	81995
PubChem CID:	49855455
Reduced:	PSF3C12O12H20 (1)
Stoich.:	ABC3D12E12F20 (1)
Weight, g/mol:	457.232519
ΔH_f, kcal/mol:	-732.79
Dipole, Da:	1.76
IP(EA), eV:	-11.22(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2,3-dihydroxypropyl]-3-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C)OC(=O)OCOP(=O)(COS(=O)(=O)C(F)(F)F)OCOC(=O)OC(C)C

DOS

IR

Vibrations