Geometry & MOs

Info

ID:	369095
PubChem CID:	127331254
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.01
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(2-hydroxycyclohexyl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations