Geometry & MOs

Info

ID:	89744
PubChem CID:	49964231
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	497.14767
ΔH_f, kcal/mol:	-157.23
Dipole, Da:	5.91
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)quinolin-1-yl]propane-1-sulfonate;triethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCC(C2(C)C)(C)C(=O)O)C

DOS

IR

Vibrations