Geometry & MOs

Info

ID:	368228
PubChem CID:	127327779
Reduced:	O2S2N5C17H23 (1)
Stoich.:	A2B2C5D17E23 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-24.45
Dipole, Da:	1.86
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=NC=CS2)NC(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations