Geometry & MOs

Info

ID:	172683
PubChem CID:	75541168
Reduced:	SO3N4H22C26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	510.208947
ΔH_f, kcal/mol:	47.84
Dipole, Da:	10.63
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=O)C(=CC4=CN=CC=C4)S3)C5=CC=C(C=C5)OC

DOS

IR

Vibrations