Geometry & MOs

Info

ID:	26728
PubChem CID:	794873
Reduced:	BrSN2O4H9C10 (1)
Stoich.:	ABC2D4E9F10 (1)
Weight, g/mol:	315.995237
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	5.31
IP(EA), eV:	-9.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-1-(2-chloroethyl)-2-hydroxyindol-3-yl]iminothiourea

Drug info:

PubChemData

Smile

C1C(=C(CS1(=O)=O)[N+](=O)[O-])NC2=CC=C(C=C2)Br

DOS

IR

Vibrations