Geometry & MOs

Info

ID:	181699
PubChem CID:	76778752
Reduced:	ClN2O7C33H37 (1)
Stoich.:	AB2C7D33E37 (1)
Weight, g/mol:	523.18894
ΔH_f, kcal/mol:	-238.58
Dipole, Da:	5.48
IP(EA), eV:	-8.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-[5-methyl-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC3=C2C(CN3C(=O)C4=CC5=C(CC(=C5)C(=O)NCCOCCOCCOCCO)C=C4)CCl)O

DOS

IR

Vibrations