Geometry & MOs

Info

ID:	413717
PubChem CID:	135086667
Reduced:	SSiO5C27H34 (1)
Stoich.:	ABC5D27E34 (1)
Weight, g/mol:	560.220585
ΔH_f, kcal/mol:	-172.83
Dipole, Da:	1.87
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-4-ynyl 7-methoxy-5-[[methyl-di(propan-2-yl)silyl]oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[Si](C)(C(C)C)OCC1=CC2=C(C(=C1)OC)OC(=C2C(=O)OCCCC#C)C3=CC=CS3

DOS

IR

Vibrations