Geometry & MOs

Info

ID:	446150
PubChem CID:	135272733
Reduced:	F2O2N7H17C21 (1)
Stoich.:	A2B2C7D17E21 (1)
Weight, g/mol:	450.158643
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	8.68
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-amino-6-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC5=C(C=C4)OC(O5)(F)F)N

DOS

IR

Vibrations