Geometry & MOs

Info

ID:	314857
PubChem CID:	126623771
Reduced:	FO2S4N9H28C30 (1)
Stoich.:	AB2C4D9E28F30 (1)
Weight, g/mol:	346.083092
ΔH_f, kcal/mol:	70.52
Dipole, Da:	5.04
IP(EA), eV:	-8.56(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)C3=NC4=C(S3)C(=NN4CC(=O)N5C[C@@H](C[C@H]5C(=S)NC6CCC(C6)C7=CC8=C(S7)C=CS8)F)C(=O)N

DOS

IR

Vibrations