Geometry & MOs

Info

ID:	84401
PubChem CID:	49866236
Reduced:	NO2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	8.99
IP(EA), eV:	-8.92(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[(E)-furan-2-ylmethylideneamino]-1-methylthiourea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=C(C#N)C#N)/C=C/C2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations