Geometry & MOs

Info

ID:	39335
PubChem CID:	8140328
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	401.14475
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	3.0
IP(EA), eV:	-8.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)NCC2=CC=CC=C2CN(C)C)OC

DOS

IR

Vibrations