Geometry & MOs

Info

ID:	64501
PubChem CID:	29201814
Reduced:	ClSO3N5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	426.045647
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	8.39
IP(EA), eV:	-9.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@H](C)SC1=NN=C(N1C[C@H]2CCCO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations