Geometry & MOs

Info

ID:	369083
PubChem CID:	127331240
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	1.36
Dipole, Da:	3.0
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations