Geometry & MOs

Info

ID:	328689
PubChem CID:	126726571
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	481.14199
ΔH_f, kcal/mol:	-109.54
Dipole, Da:	2.57
IP(EA), eV:	-8.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethyl-2-nitrophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1O)N=C(N2)NCC3=CC4=C(C=C3)C(=O)C(C4)C5CCC(=O)NC5=O

DOS

IR

Vibrations