Geometry & MOs

Info

ID:	77493
PubChem CID:	49648467
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	375.080826
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	5.23
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations