Geometry & MOs

Info

ID:	424511
PubChem CID:	135122966
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	246.978252
ΔH_f, kcal/mol:	37.26
Dipole, Da:	5.73
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2,6-difluorophenyl)-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)C(=C)C2=CC=CC=C2

DOS

IR

Vibrations