Geometry & MOs

Info

ID:	313472
PubChem CID:	126614902
Reduced:	N2S2O3H10C13 (1)
Stoich.:	A2B2C3D10E13 (1)
Weight, g/mol:	427.098664
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	4.53
IP(EA), eV:	-9.28(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 2-acetyloxy-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)/C=C\2/C(=O)N(C(=S)S2)/C=C/CC(=O)O

DOS

IR

Vibrations