Geometry & MOs

Info

ID:	445131
PubChem CID:	135264660
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	513.128232
ΔH_f, kcal/mol:	-172.59
Dipole, Da:	10.89
IP(EA), eV:	-9.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NCC2=CC3=C(CN(C3)C4CCC(=O)NC4=O)C=C2

DOS

IR

Vibrations