Geometry & MOs

Info

ID:	66315
PubChem CID:	46504228
Reduced:	OSN3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	455.167675
ΔH_f, kcal/mol:	-9.39
Dipole, Da:	7.76
IP(EA), eV:	-7.87(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpiperidin-1-yl)propyl]-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3)C

DOS

IR

Vibrations