Geometry & MOs

Info

ID:	417179
PubChem CID:	135091581
Reduced:	FSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	475.204196
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	5.87
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]phenyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)S(=O)(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations