Geometry & MOs

Info

ID:	440576
PubChem CID:	135230573
Reduced:	N5O10C11H17 (1)
Stoich.:	A5B10C11D17 (1)
Weight, g/mol:	519.270636
ΔH_f, kcal/mol:	-201.99
Dipole, Da:	6.18
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrimidin-5-yl]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

C1C2C(O2)NOCC(=O)NOCC(=O)NOCC(=O)NOCC(=O)NO1

DOS

IR

Vibrations