Geometry & MOs

Info

ID:	438596
PubChem CID:	135228340
Reduced:	Cl2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	482.12851
ΔH_f, kcal/mol:	151.25
Dipole, Da:	2.24
IP(EA), eV:	-7.09(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-tert-butylsulfanyl-6-(trifluoromethyl)pyridin-2-yl]-2-methylpropan-2-yl]sulfanyl-2-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1CN(C2[C@@]13C2C[C@H]3N)C4=CN=C(C(=N4)N)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations