Geometry & MOs

Info

ID:	445140
PubChem CID:	135264671
Reduced:	Cl3O3N4H19C21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	442.123025
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	1.61
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]thiourea

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C=C(C=C3)CNC(=O)NC4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations