Geometry & MOs

Info

ID:	45042
PubChem CID:	10507443
Reduced:	NS3H11C14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	579.443364
ΔH_f, kcal/mol:	170.59
Dipole, Da:	9.52
IP(EA), eV:	-8.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(didecylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C2S/C(=C(\C(=C\3/SC(=C(S3)C)SCCCCS2)\C4=CC=C(C=C4)C#N)/C5=CC=C(C=C5)C#N)/S1

DOS

IR

Vibrations