Geometry & MOs

Info

ID:	50833
PubChem CID:	12013422
Reduced:	N2O7C26H26 (1)
Stoich.:	A2B7C26D26 (1)
Weight, g/mol:	350.054755
ΔH_f, kcal/mol:	-237.64
Dipole, Da:	2.36
IP(EA), eV:	-8.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C1C(=CC2=CC=CC=C2N1C(=O)OC)C(=O)N3C(COC3=O)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations