Geometry & MOs

Info

ID:	196555
PubChem CID:	78847313
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	433.133924
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	6.66
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-[1-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COCC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NN=C4N3CCCCC4

DOS

IR

Vibrations