Geometry & MOs

Info

ID:	338393
PubChem CID:	127259085
Reduced:	O5H14C18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	311.098
ΔH_f, kcal/mol:	-151.49
Dipole, Da:	6.78
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

DOS

IR

Vibrations