Geometry & MOs

Info

ID:	369075
PubChem CID:	127331217
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	4.05
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2CSC3=CC=CC=C23)CO

DOS

IR

Vibrations