Geometry & MOs

Info

ID:	195193
PubChem CID:	78653210
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	406.99393
ΔH_f, kcal/mol:	-176.99
Dipole, Da:	7.48
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)OC)Cl)OC

DOS

IR

Vibrations