Geometry & MOs

Info

ID:	79802
PubChem CID:	49830512
Reduced:	FSO4N6C20H21 (1)
Stoich.:	ABC4D6E20F21 (1)
Weight, g/mol:	300.089022
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	5.03
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-phenylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC(=O)NC)F)S(=O)(=O)N

DOS

IR

Vibrations