Geometry & MOs

Info

ID:

309607

PubChem CID:

126550726

Reduced:

SN4O11C31H38 (1)

Stoich.:

AB4C11D31E38 (1)

Weight, g/mol:

400.087113

ΔHf, kcal/mol:

-444.99

Dipole, Da:

3.58

IP(EA), eV:

 -9.72(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)C(C)NC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations