Geometry & MOs

Info

ID:	365881
PubChem CID:	127319131
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	5.15
IP(EA), eV:	-8.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(2-pyridin-2-ylsulfanylpyridin-4-yl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3

DOS

IR

Vibrations