Geometry & MOs

Info

ID:	137256
PubChem CID:	52178119
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	366.103814
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	2.71
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)CN1CCSC1=O)N2CCCC2

DOS

IR

Vibrations