Geometry & MOs

Info

ID:	60161
PubChem CID:	26675807
Reduced:	SN2O5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	400.127051
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	6.39
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations