Geometry & MOs

Info

ID:	64093
PubChem CID:	29196102
Reduced:	ClFSN4O5C19H20 (1)
Stoich.:	ABCD4E5F19G20 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	9.07
IP(EA), eV:	-9.05(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations