Geometry & MOs

Info

ID:	413716
PubChem CID:	135086666
Reduced:	NSBr2O2C24H33 (1)
Stoich.:	ABC2D2E24F33 (1)
Weight, g/mol:	498.189622
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	4.36
IP(EA), eV:	-9.32(-0.89)
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-thiophen-2-yl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCCCCCC(C)(Br)Br)CC2=CC=CC=C2

DOS

IR

Vibrations