Geometry & MOs

Info

ID:	357824
PubChem CID:	127294667
Reduced:	S2N3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	399.095634
ΔH_f, kcal/mol:	-110.39
Dipole, Da:	6.71
IP(EA), eV:	-8.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC1CN(C2=CC=CC=C12)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations