Geometry & MOs

Info

ID:	417421
PubChem CID:	135093627
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	374.130967
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	2.9
IP(EA), eV:	-9.14(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=CN2C3CC3

DOS

IR

Vibrations