Geometry & MOs

Info

ID:	288749
PubChem CID:	104324925
Reduced:	ClO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	39.92
Dipole, Da:	6.39
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethoxy)-1-benzofuran-2-carbothioamide

Drug info:

PubChemData

Smile

CN1C(=CN=C1COC2=C(OC3=CC=CC=C32)C#N)Cl

DOS

IR

Vibrations