Geometry & MOs

Info

ID:	77487
PubChem CID:	49648394
Reduced:	NS2O5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	391.07574
ΔH_f, kcal/mol:	-198.6
Dipole, Da:	5.14
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CC(CC2=O)C(=O)OC3CSCC4=CC=CC=C34

DOS

IR

Vibrations