Geometry & MOs

Info

ID:	445124
PubChem CID:	135264652
Reduced:	ClO4N5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	7.05
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylphenyl)-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=CC3C(C=C2)N=C(N(C3=O)C4CCC(=O)NC4=O)C)Cl

DOS

IR

Vibrations