Geometry & MOs

Info

ID:	142914
PubChem CID:	53114392
Reduced:	SO4N5C18H25 (1)
Stoich.:	AB4C5D18E25 (1)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	-74.28
Dipole, Da:	12.69
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-[4-(azepan-1-ylsulfonyl)pyrrol-2-ylidene]-3H-1,3,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1CCCCN1S(=O)(=O)C2=C/C(=C/3\NN=C(O3)C(=O)N4CCCC4)/N=C2

DOS

IR

Vibrations