Geometry & MOs

Info

ID:	368845
PubChem CID:	127330787
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	2.15
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations