Geometry & MOs

Info

ID:	231198
PubChem CID:	87572931
Reduced:	NSi2C17H37 (1)
Stoich.:	AB2C17D37 (1)
Weight, g/mol:	425.03264
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	3.19
IP(EA), eV:	-7.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]-6-sulfanylidenecyclohexa-1,3-dien-1-yl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[Si](CNCCC[Si]C=C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations