Geometry & MOs

Info

ID:	226573
PubChem CID:	87544221
Reduced:	OSN8C22H24 (1)
Stoich.:	ABC8D22E24 (1)
Weight, g/mol:	536.180203
ΔH_f, kcal/mol:	77.91
Dipole, Da:	5.65
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[1-amino-3-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propylidene]amino] cyclohexanecarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C(C)(C)C)NC3=CC=NN3C4=NC=NC(=C4)N

DOS

IR

Vibrations