Geometry & MOs

Info

ID:	357788
PubChem CID:	127294575
Reduced:	SO2N3C20H33 (1)
Stoich.:	AB2C3D20E33 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	3.96
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-1-(2-methylphenyl)propan-2-yl]-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2CCCN(C2)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations