Geometry & MOs

Info

ID:	194806
PubChem CID:	78591355
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	361.126026
ΔH_f, kcal/mol:	27.55
Dipole, Da:	7.23
IP(EA), eV:	-8.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[2-(4-fluorophenoxy)propanoylamino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N)C

DOS

IR

Vibrations