Geometry & MOs

Info

ID:	139560
PubChem CID:	52557609
Reduced:	ClOSN5H16C19 (1)
Stoich.:	ABCD5E16F19 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	113.5
Dipole, Da:	5.07
IP(EA), eV:	-9.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations