Geometry & MOs

Info

ID:	46648
PubChem CID:	10525923
Reduced:	BrOSSiC19H31 (1)
Stoich.:	ABCDE19F31 (1)
Weight, g/mol:	415.068346
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	4.15
IP(EA), eV:	-8.44(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-chlorophenyl)-13-methoxy-4,6-dimethyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),13-triene-5,7,9,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1O[Si](C)(C)C(C)(C)C)C)Br)SCC(=C)C)C

DOS

IR

Vibrations