Geometry & MOs

Info

ID:	381686
PubChem CID:	134972485
Reduced:	Li2O3H4C6 (1)
Stoich.:	A2B3C4D6 (1)
Weight, g/mol:	792.193825
ΔH_f, kcal/mol:	-143.18
Dipole, Da:	10.38
IP(EA), eV:	-7.75(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]ethyl-[2-[(4-methylphenyl)methylamino]ethyl]amino]ethyl]thiourea

Drug info:

PubChemData

Smile

[Li+].[Li+].[CH2-]C1=CC(=CC(=O)O1)[O-]

DOS

IR

Vibrations