Geometry & MOs

Info

ID:	195784
PubChem CID:	78732376
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	407.120272
ΔH_f, kcal/mol:	32.46
Dipole, Da:	8.2
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C=CC3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations