Geometry & MOs

Info

ID:	195471
PubChem CID:	78690327
Reduced:	ClSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	336.086326
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	4.38
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,6-dimethylphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=C(C=C(C=C3Cl)C)C

DOS

IR

Vibrations