Geometry & MOs

Info

ID:	204368
PubChem CID:	79955040
Reduced:	ON2F3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	300.069927
ΔH_f, kcal/mol:	-177.96
Dipole, Da:	4.16
IP(EA), eV:	-9.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-nitrophenyl)-5,5-dimethylthian-3-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)CCC(F)(F)F

DOS

IR

Vibrations