Geometry & MOs

Info

ID:	49338
PubChem CID:	11532872
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	468.161997
ΔH_f, kcal/mol:	-94.23
Dipole, Da:	2.62
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[[5-[4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)NC(=O)NCC2=NC(=CS2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations