Geometry & MOs

Info

ID:	37541
PubChem CID:	8022046
Reduced:	BrNO5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	407.95125
ΔH_f, kcal/mol:	-170.89
Dipole, Da:	4.44
IP(EA), eV:	-9.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations