Geometry & MOs

Info

ID:	120697
PubChem CID:	50740464
Reduced:	BrSN2O4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-142.99
Dipole, Da:	5.49
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxoisoindol-2-yl)-2-phenylethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations