Geometry & MOs

Info

ID:	299833
PubChem CID:	117695827
Reduced:	OSF2N3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	8.03
IP(EA), eV:	-8.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-methyl-3-[2-methyl-6-(1-phenylethoxy)pyridin-3-yl]thiourea

Drug info:

PubChemData

Smile

CCN(C)C(=S)NC1=C(N=C(C=C1)OCC2=CC(=CC(=C2)F)F)C

DOS

IR

Vibrations