Geometry & MOs

Info

ID:	418426
PubChem CID:	135104708
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	407.177982
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	6.25
IP(EA), eV:	-9.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations