Geometry & MOs

Info

ID:	447869
PubChem CID:	135286454
Reduced:	ClFO2N7H25C26 (1)
Stoich.:	ABC2D7E25F26 (1)
Weight, g/mol:	408.148078
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	8.51
IP(EA), eV:	-8.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-[(5-morpholin-4-ylpyridin-2-yl)amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1F)NC2=C(C=NC3=CN=C(C=C32)C4=CN=C(N=C4)N5CCN(CC5)CC(=O)O)Cl

DOS

IR

Vibrations