Geometry & MOs

Info

ID:	415733
PubChem CID:	135088733
Reduced:	ClFSN2O5C15H18 (1)
Stoich.:	ABCD2E5F15G18 (1)
Weight, g/mol:	342.088353
ΔH_f, kcal/mol:	-220.54
Dipole, Da:	5.83
IP(EA), eV:	-9.08(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

DOS

IR

Vibrations