Geometry & MOs

Info

ID:	55994
PubChem CID:	17398271
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	9.13
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC3

DOS

IR

Vibrations