Geometry & MOs

Info

ID:	58143
PubChem CID:	24424339
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	346.117356
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	8.71
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-3-(2-phenylsulfanylphenyl)thiourea

Drug info:

PubChemData

Smile

CC(COC)NC(=S)NNC(=O)C1=CC=CC=C1O

DOS

IR

Vibrations