Geometry & MOs

Info

ID:	85103
PubChem CID:	49871784
Reduced:	NSiO3C29H49 (1)
Stoich.:	ABC3D29E49 (1)
Weight, g/mol:	571.100037
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	4.64
IP(EA), eV:	-8.67(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-6-(3,5-dimethyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CCC=C

DOS

IR

Vibrations