Geometry & MOs

Info

ID:	298405
PubChem CID:	117649202
Reduced:	FN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	4.0
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-acetyl-3,4-dihydroxy-1-(4-methoxyphenyl)pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F)C(=O)C

DOS

IR

Vibrations