Geometry & MOs

Info

ID:	172985
PubChem CID:	75579129
Reduced:	S2N7F12C29H31 (1)
Stoich.:	A2B7C12D29E31 (1)
Weight, g/mol:	487.151688
ΔH_f, kcal/mol:	-571.02
Dipole, Da:	8.51
IP(EA), eV:	-8.85(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)thiourea

Drug info:

PubChemData

Smile

CC(CNC(=NCC(C)NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N2CCCC2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations