Geometry & MOs

Info

ID:	48667
PubChem CID:	11110343
Reduced:	BrSiO2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	332.057926
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	1.76
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-oxo-1H-quinazolin-2-yl)-N-(5-oxo-2-sulfanyl-1,3-oxazolidin-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)CBr)OC

DOS

IR

Vibrations