Geometry & MOs

Info

ID:	148113
PubChem CID:	53787775
Reduced:	N3O3C33H37 (1)
Stoich.:	A3B3C33D37 (1)
Weight, g/mol:	411.031848
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	7.56
IP(EA), eV:	-9.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC(=CC=C1)C(=N)N)C(C=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4CCCCC4

DOS

IR

Vibrations