Geometry & MOs

Info

ID:	447691
PubChem CID:	135284817
Reduced:	SO3N5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	7.61
IP(EA), eV:	-8.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-fluoro-4-(1-methylpyrazolo[3,4-b]pyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=NC(=CS3)C)OCC(C)(CC(C)C)NC(=O)O

DOS

IR

Vibrations