Geometry & MOs

Info

ID:	140424
PubChem CID:	52694966
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	2.98
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)S[C@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations