Geometry & MOs

Info

ID:	58151
PubChem CID:	24424417
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	3.48
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations