Geometry & MOs

Info

ID:	195009
PubChem CID:	78620019
Reduced:	SF2N3O3C17H17 (1)
Stoich.:	AB2C3D3E17F17 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	5.55
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(1-phenylpropylideneamino)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NN=CC2=C(C(=CC=C2)OC)OC(F)F

DOS

IR

Vibrations