Geometry & MOs

Info

ID:	50275
PubChem CID:	12012791
Reduced:	Cl2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	613.75194
ΔH_f, kcal/mol:	-202.64
Dipole, Da:	3.5
IP(EA), eV:	-9.93(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-phenyl-1,2-dihydro-[1,3]thiazolo[3,2-a]quinazolin-10-ium-5-one;molecular bromine;bromide

Drug info:

PubChemData

Smile

CC(=O)COCC(COC(CCl)CCl)O

DOS

IR

Vibrations