Geometry & MOs

Info

ID:	362663
PubChem CID:	127309027
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	301.163771
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	3.81
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethyl)-1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)NCC3COCCO3

DOS

IR

Vibrations