Geometry & MOs

Info

ID:	180392
PubChem CID:	76626977
Reduced:	SN4O4H24C27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-46.49
Dipole, Da:	6.08
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[hydroxy(oxan-4-yl)methyl]-3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C1C2=C(N=C(C=C2)C3=CC=C(C=C3)CC(=O)OC)OC4=CC=CC=C14)C(=O)NC5=NN=CS5

DOS

IR

Vibrations