Geometry & MOs

Info

ID:	174823
PubChem CID:	75819699
Reduced:	SO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.034146
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxypyridin-3-yl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)NC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

DOS

IR

Vibrations