Geometry & MOs

Info

ID:	122547
PubChem CID:	50811827
Reduced:	ClFSO2N5H17C20 (1)
Stoich.:	ABCD2E5F17G20 (1)
Weight, g/mol:	486.01097
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	3.78
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CCC2=NC(=NO2)CSC3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations