Geometry & MOs

Info

ID:	291527
PubChem CID:	113297891
Reduced:	BrN2O2S2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-7.66
Dipole, Da:	5.05
IP(EA), eV:	-8.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methylpyridine-2,3-diamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations