Geometry & MOs

Info

ID:	145631
PubChem CID:	53560594
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	376.202989
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-0.22)
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-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2Cl)C3=CC=CN3

DOS

IR

Vibrations