Geometry & MOs

Info

ID:	166119
PubChem CID:	74640531
Reduced:	ClSN2O6C20H21 (1)
Stoich.:	ABC2D6E20F21 (1)
Weight, g/mol:	437.0124
ΔH_f, kcal/mol:	-181.11
Dipole, Da:	5.79
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-iodoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2OC)Cl

DOS

IR

Vibrations