Geometry & MOs

Info

ID:	401674
PubChem CID:	135052096
Reduced:	O2S2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	613.01867
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	6.87
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(4-chloroanilino)-2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC(=S)NC2=CC=CC=C2

DOS

IR

Vibrations