Geometry & MOs

Info

ID:	445125
PubChem CID:	135264653
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	446.091246
ΔH_f, kcal/mol:	-98.16
Dipole, Da:	5.36
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-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)Cl)NC(=O)NCC2=CC3=C(CN(C3)C4CCC(=O)NC4=O)C=C2

DOS

IR

Vibrations