Geometry & MOs

Info

ID:	414710
PubChem CID:	135087669
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-144.69
Dipole, Da:	8.32
IP(EA), eV:	-9.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1'-pyrrolidin-1-ylsulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CC=NC=C2

DOS

IR

Vibrations