Geometry & MOs

Info

ID:	33759
PubChem CID:	7887963
Reduced:	ClFNO4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	377.163851
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	4.09
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations