Geometry & MOs

Info

ID:	15999
PubChem CID:	457551
Reduced:	BrSSiN2O2C18H19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	434.01199
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	3.99
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3-(2-methoxyphenyl)-2-trimethylsilylsulfanylquinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=O)C3=C(C(=CC=C3)Br)N=C2S[Si](C)(C)C

DOS

IR

Vibrations