Geometry & MOs

Info

ID:	358857
PubChem CID:	127296728
Reduced:	FOSN5C19H24 (1)
Stoich.:	ABCD5E19F24 (1)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	6.53
IP(EA), eV:	-8.85(-0.85)
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-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4F

DOS

IR

Vibrations