Geometry & MOs

Info

ID:	195199
PubChem CID:	78653691
Reduced:	BrN2O6H11C15 (1)
Stoich.:	AB2C6D11E15 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	5.15
IP(EA), eV:	-9.19(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])Br

DOS

IR

Vibrations