Geometry & MOs

Info

ID:	184960
PubChem CID:	77234556
Reduced:	SiF2S2N4O5C25H38 (1)
Stoich.:	AB2C2D4E5F25G38 (1)
Weight, g/mol:	407.132193
ΔH_f, kcal/mol:	-295.32
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-[3-(dimethylamino)propylidene]-4H-thieno[3,2-c][1]benzoxepin-8-yl]-2-methylpropanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCOCC(CO[Si](C)(C)C(C)(C)C)OC1=NC(=NC(=C1)C2CCN2S(=O)(=O)N)SCC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations