Geometry & MOs

Info

ID:	346935
PubChem CID:	127271439
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	11.27
Dipole, Da:	4.27
IP(EA), eV:	-8.85(-0.72)
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-(4-methyl-1,3-thiazol-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)NC(=O)NC3CCN(CC3)CC4CC4

DOS

IR

Vibrations