Geometry & MOs

Info

ID:	32519
PubChem CID:	7840832
Reduced:	ClSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	373.053942
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	3.85
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC=C(C=C1)Cl

DOS

IR

Vibrations