Geometry & MOs

Info

ID:	359436
PubChem CID:	127298573
Reduced:	N2S2O3C18H28 (1)
Stoich.:	A2B2C3D18E28 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-149.51
Dipole, Da:	7.63
IP(EA), eV:	-9.56(-0.54)
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-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC(CC2)NC(=O)CC3CCCC3

DOS

IR

Vibrations