Geometry & MOs

Info

ID:	363653
PubChem CID:	127311754
Reduced:	SO3N5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	335.133734
ΔH_f, kcal/mol:	-128.53
Dipole, Da:	4.68
IP(EA), eV:	-8.72(0.55)
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-ylethyl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)NCCN3CCSCC3

DOS

IR

Vibrations