Geometry & MOs

Info

ID:	60148
PubChem CID:	26675775
Reduced:	BrNSO6H16C17 (1)
Stoich.:	ABCD6E16F17 (1)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	2.28
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Br)C=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

DOS

IR

Vibrations