Geometry & MOs

Info

ID:	66316
PubChem CID:	46504235
Reduced:	S2F3N3C22H28 (1)
Stoich.:	A2B3C3D22E28 (1)
Weight, g/mol:	480.178432
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	6.22
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations