Geometry & MOs

Info

ID:	58153
PubChem CID:	24424423
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	6.94
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations