Geometry & MOs

Info

ID:	417799
PubChem CID:	135102778
Reduced:	FSN2O4C17H25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-206.79
Dipole, Da:	7.86
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(3-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCCC2=CC=C(C=C2)F

DOS

IR

Vibrations