Geometry & MOs

Info

ID:	172335
PubChem CID:	75497056
Reduced:	SN3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	76.46
Dipole, Da:	3.58
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-diethyl-4-[(2-methyloxolane-3-carbonyl)amino]phenyl] thiocyanate

Drug info:

PubChemData

Smile

CSCC1=NN(C=N1)C2=CC=CC=C2

DOS

IR

Vibrations