Geometry & MOs

Info

ID:	356775
PubChem CID:	127292315
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	4.28
IP(EA), eV:	-8.82(0.62)
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-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations