Geometry & MOs

Info

ID:	120708
PubChem CID:	50740806
Reduced:	ClOSN4H17C24 (1)
Stoich.:	ABCD4E17F24 (1)
Weight, g/mol:	560.08816
ΔH_f, kcal/mol:	109.9
Dipole, Da:	9.94
IP(EA), eV:	-9.14(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromophenyl)methylidene]-2-[3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C\3=NC(=O)S/C3=C\C4=CN=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations