Geometry & MOs

Info

ID:	228703
PubChem CID:	87565572
Reduced:	PSF2N2O6C27H31 (1)
Stoich.:	ABC2D2E6F27G31 (1)
Weight, g/mol:	389.107514
ΔH_f, kcal/mol:	-360.67
Dipole, Da:	3.94
IP(EA), eV:	-9.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)C(=O)NCCCCC3=CC=CC=C3

DOS

IR

Vibrations