Geometry & MOs

Info

ID:	345892
PubChem CID:	127270192
Reduced:	SCl2N2O3C15H18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	381.010553
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	4.34
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,6-dichloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CCC(=O)N2CCC3=C(C2)C=CC(=C3Cl)Cl

DOS

IR

Vibrations