Geometry & MOs

Info

ID:	313469
PubChem CID:	126614899
Reduced:	ClFNS2O3H11C13 (1)
Stoich.:	ABCD2E3F11G13 (1)
Weight, g/mol:	386.079256
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	6.81
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-hydroxyethyl)-4-[(5E)-4-oxo-2-sulfanyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N(C(S2)S)CCC(=O)O)F

DOS

IR

Vibrations