Geometry & MOs

Info

ID:	421941
PubChem CID:	135116880
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	3.4
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@H]1O)C(=O)CC2=CSC=C2

DOS

IR

Vibrations