Geometry & MOs

Info

ID:	144412
PubChem CID:	53364829
Reduced:	FSN3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	296.059504
ΔH_f, kcal/mol:	29.94
Dipole, Da:	9.48
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-3-(2-fluoro-5-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=S)NC3=C(C=CC(=C3)C)F)C4=CC=CC=C41

DOS

IR

Vibrations