Geometry & MOs

Info

ID:	346334
PubChem CID:	127270838
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	7.46
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-(3-propyl-1,2,4-thiadiazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O

DOS

IR

Vibrations