Geometry & MOs

Info

ID:	368842
PubChem CID:	127330714
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-153.88
Dipole, Da:	3.56
IP(EA), eV:	-9.42(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CCCN(CC1)S(=O)(=O)C(C)COC

DOS

IR

Vibrations