Geometry & MOs

Info

ID:	156777
PubChem CID:	56385590
Reduced:	OCl2S2N5H15C16 (1)
Stoich.:	AB2C2D5E15F16 (1)
Weight, g/mol:	446.115024
ΔH_f, kcal/mol:	42.55
Dipole, Da:	8.43
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations