Geometry & MOs

Info

ID:	393758
PubChem CID:	135021638
Reduced:	N2Si2O6C22H43 (1)
Stoich.:	A2B2C6D22E43 (1)
Weight, g/mol:	284.050715
ΔH_f, kcal/mol:	-304.17
Dipole, Da:	1.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753736
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-4-phenyl-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@H]([C@H](/C(=C(/C(=O)OC)\[N+]#N)/O)O[Si](C)(C)C(C)(C)C)OCC=C

DOS

IR

Vibrations