Geometry & MOs

Info

ID:	322712
PubChem CID:	126670867
Reduced:	ClFSO4N8H30C33 (1)
Stoich.:	ABCD4E8F30G33 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	6.53
IP(EA), eV:	-9.24(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butan-2-yloxy-5-methylphenyl)-1,3-thiazolidin-2-imine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N([C@@H]1C)C(=O)CN2C3=C(C(=N2)C(=O)N)SC(=N3)C4=CN=C(N=C4)C)C(=O)NC5=CC=CC(=C5F)C6=C(C=CC(=C6)C(=O)C)Cl

DOS

IR

Vibrations