Geometry & MOs

Info

ID:	194770
PubChem CID:	78587902
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	344.98619
ΔH_f, kcal/mol:	-144.32
Dipole, Da:	10.02
IP(EA), eV:	-8.63(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-iodoanilino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2

DOS

IR

Vibrations