Geometry & MOs

Info

ID:	195470
PubChem CID:	78690326
Reduced:	ClSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	390.116877
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	5.68
IP(EA), eV:	-8.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4,6-dimethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylthiourea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=S)NC2=C(C=C(C=C2Cl)C)C

DOS

IR

Vibrations