Geometry & MOs

Info

ID:	37676
PubChem CID:	8023035
Reduced:	O7H18C19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-218.39
Dipole, Da:	6.74
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2)OC

DOS

IR

Vibrations