Geometry & MOs

Info

ID:	391484
PubChem CID:	135005626
Reduced:	SO4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	406.864661
ΔH_f, kcal/mol:	-151.18
Dipole, Da:	6.09
IP(EA), eV:	-9.28(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(trichloromethyl)-N-[4-(trichloromethyl)pyrimidin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC1(C(S(=O)(=O)C1C2=CC=CC=C2)C)OCC

DOS

IR

Vibrations