Geometry & MOs

Info

ID:	358862
PubChem CID:	127296733
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	21.3
Dipole, Da:	5.94
IP(EA), eV:	-8.94(-0.9)
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-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)N3CCN(CC3)C4CCCC4

DOS

IR

Vibrations