Geometry & MOs

Info

ID:	149512
PubChem CID:	53789185
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	439.148511
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-thiazolidin-3-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCOC(=CC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations