Geometry & MOs

Info

ID:	264091
PubChem CID:	103427710
Reduced:	SCl2N2O2H8C13 (1)
Stoich.:	AB2C2D2E8F13 (1)
Weight, g/mol:	313.063634
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	1.84
IP(EA), eV:	-9.04(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4,6-dichloroindol-1-yl)hexanoate

Drug info:

PubChemData

Smile

C1=CN(C2=C1C(=CC(=C2)Cl)Cl)CC3=CSC(=N3)C(=O)O

DOS

IR

Vibrations