Geometry & MOs

Info

ID:	33743
PubChem CID:	7887916
Reduced:	OS2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	44.76
Dipole, Da:	5.23
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CSC3=NC(=NC4=C3C5=C(S4)CCC5)C)C=C1

DOS

IR

Vibrations