Geometry & MOs

Info

ID:	47364
PubChem CID:	10531905
Reduced:	SSiO6C35H42 (1)
Stoich.:	ABC6D35E42 (1)
Weight, g/mol:	618.07367
ΔH_f, kcal/mol:	-221.95
Dipole, Da:	8.44
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoacetyl)-3-(3,4,5-trimethoxybenzoyl)oxyphenyl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCO[C@@H](COCC2=CC=CC=C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations