Geometry & MOs

Info

ID:	196384
PubChem CID:	78817785
Reduced:	BrSO2N3C17H26 (1)
Stoich.:	ABC2D3E17F26 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	3.87
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CN2CCN(CC2)CC3=CC=C(S3)Br

DOS

IR

Vibrations