Geometry & MOs

Info

ID:	61204
PubChem CID:	26707062
Reduced:	FN2S2O4H19C21 (1)
Stoich.:	AB2C2D4E19F21 (1)
Weight, g/mol:	442.05282
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.15
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-cyano-6-ethoxyphenyl) 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations