Geometry & MOs

Info

ID:	445149
PubChem CID:	135264683
Reduced:	ClN4O4C23H23 (1)
Stoich.:	AB4C4D23E23 (1)
Weight, g/mol:	446.091246
ΔH_f, kcal/mol:	-145.39
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC2=CC3=C(CN(C3=O)[C@]4(CCC(=O)NC4=O)C)C=C2)Cl

DOS

IR

Vibrations