Geometry & MOs

Info

ID:	58155
PubChem CID:	24424431
Reduced:	OF2S2N3C18H21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	281.156184
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	7.87
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-propylthiourea

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=S)NC2=CC=C(C=C2)SC(F)F)C3=CC=CO3

DOS

IR

Vibrations