Geometry & MOs

Info

ID:	32059
PubChem CID:	4259929
Reduced:	ClON5H20C24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	517.118668
ΔH_f, kcal/mol:	92.44
Dipole, Da:	6.66
IP(EA), eV:	-9.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-nitrophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C(=C3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl)C#N

DOS

IR

Vibrations