Geometry & MOs

Info

ID:	33722
PubChem CID:	7887761
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	319.121986
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	0.5
IP(EA), eV:	-8.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)S[C@H](C)C(=O)OC

DOS

IR

Vibrations