Geometry & MOs

Info

ID:	55960
PubChem CID:	17397864
Reduced:	O2S3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	2.81
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC(=O)N(CCOC)CC2=CC=CS2

DOS

IR

Vibrations