Geometry & MOs

Info

ID:	60283
PubChem CID:	26676103
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	461.056067
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	5.55
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\OCC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations