Geometry & MOs

Info

ID:	41656
PubChem CID:	8146710
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	356.143273
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	2.43
IP(EA), eV:	-8.96(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)C3(CCCCCC3)NC2=O

DOS

IR

Vibrations