Geometry & MOs

Info

ID:	404009
PubChem CID:	135064369
Reduced:	BFSiO2C18H29 (1)
Stoich.:	ABCD2E18F29 (1)
Weight, g/mol:	396.88105
ΔH_f, kcal/mol:	-209.69
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751850
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-bromo-1lambda3,2-benziodoxol-3-ylidene)amino]acetate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CCC)C2=C(C=C(C=C2)F)[Si](C)C

DOS

IR

Vibrations