Geometry & MOs

Info

ID:	174877
PubChem CID:	75826006
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	473.139585
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.450065
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanimidate

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)C2=CC3=CC=CC=C3C=C2NC(=O)C4CC4

DOS

IR

Vibrations