Geometry & MOs

Info

ID:	424535
PubChem CID:	135123046
Reduced:	SN4O6C28H36 (1)
Stoich.:	AB4C6D28E36 (1)
Weight, g/mol:	373.107183
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	4.77
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-dioxa-9-azaspiro[4.6]undecane

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)COC(C2=CC(=C(C=C2)C)CN3CC(OC4=CC=CC=C4S3(=O)=O)(C)C)C(C)(C)C(=O)O

DOS

IR

Vibrations