Geometry & MOs

Info

ID:	33966
PubChem CID:	7889050
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	2.09
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CNC3=CC=CC=C32)F

DOS

IR

Vibrations