Geometry & MOs

Info

ID:	288571
PubChem CID:	104319969
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	3.96
IP(EA), eV:	-9.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)C3=CC=C(C=C3)CN)O

DOS

IR

Vibrations