Geometry & MOs

Info

ID:	405492
PubChem CID:	135074167
Reduced:	BrSN2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	262.100523
ΔH_f, kcal/mol:	8.89
Dipole, Da:	4.17
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorophenyl)-1-(2-methylprop-2-enoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CNC3=C2C=C(C=C3)Br)CC=C4CC4

DOS

IR

Vibrations