Geometry & MOs

Info

ID:	30748
PubChem CID:	841794
Reduced:	NOCl4H9C14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	331.975331
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.53
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(3-chloro-4-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(=O)NC2=C(C=C(C=C2)Cl)Cl)Cl)Cl

DOS

IR

Vibrations