Geometry & MOs

Info

ID:	338440
PubChem CID:	127259132
Reduced:	SO3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	3.56
IP(EA), eV:	-8.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyanilino)-2-methyl-1-sulfanylidenepropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=CC=C(C2=CC=CC=C21)S

DOS

IR

Vibrations