Geometry & MOs

Info

ID:	81763
PubChem CID:	49855115
Reduced:	ClOSF3N4H8C14 (1)
Stoich.:	ABCD3E4F8G14 (1)
Weight, g/mol:	360.031096
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	8.44
IP(EA), eV:	-9.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)SN=N2

DOS

IR

Vibrations