Geometry & MOs

Info

ID:	348781
PubChem CID:	127273892
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	367.08954
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	3.54
IP(EA), eV:	-8.63(-0.76)
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-bromo-4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=C(C=C4C(=C3)SC(=N4)C)OC

DOS

IR

Vibrations