Geometry & MOs

Info

ID:	120930
PubChem CID:	50750909
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	12.99
Dipole, Da:	3.51
IP(EA), eV:	-8.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C)CCC(=O)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations