Geometry & MOs

Info

ID:	362777
PubChem CID:	127309325
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	4.34
IP(EA), eV:	-8.66(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3CCSCC3)O

DOS

IR

Vibrations