Geometry & MOs

Info

ID:	355989
PubChem CID:	127290979
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	291.125277
ΔH_f, kcal/mol:	-165.33
Dipole, Da:	1.99
IP(EA), eV:	-8.56(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NC1CCCOC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations