Geometry & MOs

Info

ID:	221908
PubChem CID:	85292624
Reduced:	NSiTiCl2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	380.067822
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	2.68
IP(EA), eV:	-7.79(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-methylpropylsulfonyl)-4,6-dinitrophenyl]ethenyl]furan

Drug info:

PubChemData

Smile

CC(C)(C)[N-][Si](C)(C)C[C]1[CH][CH][C]2[C]1C=CC=C2.Cl[Ti]Cl

DOS

IR

Vibrations