Geometry & MOs

Info

ID:	174821
PubChem CID:	75819601
Reduced:	SO2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	390.196371
ΔH_f, kcal/mol:	42.0
Dipole, Da:	3.5
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-ethoxypyridin-3-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)SC2=NN=C(N2C)C3=CC=CO3

DOS

IR

Vibrations