Geometry & MOs

Info

ID:	426168
PubChem CID:	135141836
Reduced:	FOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	555.307021
ΔH_f, kcal/mol:	53.28
Dipole, Da:	3.97
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@]1(C2C[C@@]2(SC(=N1)N)C(=O)N3CCCC3)C4=C(N=CC(=C4)C#C)F

DOS

IR

Vibrations