Geometry & MOs

Info

ID:	178697
PubChem CID:	76369546
Reduced:	BrSiO4C21H35 (1)
Stoich.:	ABC4D21E35 (1)
Weight, g/mol:	494.115463
ΔH_f, kcal/mol:	-209.17
Dipole, Da:	2.64
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;2-[4-[4-[3-methyl-4-[[oxido(1-phenylethoxy)methylidene]amino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(=CCOCC1=CC(=C(C=C1Br)OC)OC)CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations