Geometry & MOs

Info

ID:	36285
PubChem CID:	8001014
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	361.126026
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	8.08
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC(=O)COC2=CC=CC=C2Cl)C

DOS

IR

Vibrations