Geometry & MOs

Info

ID:	145255
PubChem CID:	53488543
Reduced:	FSN2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	288.109648
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	4.99
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-(2-fluoro-4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(CCC3)C=C2)F

DOS

IR

Vibrations