Geometry & MOs

Info

ID:	66306
PubChem CID:	46504182
Reduced:	ClS2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	405.164161
ΔH_f, kcal/mol:	40.18
Dipole, Da:	4.73
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)propyl]thiourea

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations