Geometry & MOs

Info

ID:	30471
PubChem CID:	841387
Reduced:	ON5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	304.02039
ΔH_f, kcal/mol:	76.09
Dipole, Da:	10.02
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NN=CC2=CC=NC=C2

DOS

IR

Vibrations