Geometry & MOs

Info

ID:	362778
PubChem CID:	127309326
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	301.182398
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	5.34
IP(EA), eV:	-8.38(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCOCC1)C(=O)NC2CCSCC2

DOS

IR

Vibrations