Geometry & MOs

Info

ID:	338438
PubChem CID:	127259130
Reduced:	SO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	304.95489
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	1.85
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CSC1=CC=C(C=C1)O)SC2=CC=C(C=C2)O

DOS

IR

Vibrations