Geometry & MOs

Info

ID:	66309
PubChem CID:	46504199
Reduced:	OSN3C23H33 (1)
Stoich.:	ABC3D23E33 (1)
Weight, g/mol:	414.245333
ΔH_f, kcal/mol:	4.35
Dipole, Da:	4.3
IP(EA), eV:	-8.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

DOS

IR

Vibrations