Geometry & MOs

Info

ID:	55991
PubChem CID:	17398257
Reduced:	Cl2N2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	353.094646
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	1.24
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylimidazol-2-yl)sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NCC(=O)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations