Geometry & MOs

Info

ID:	318965
PubChem CID:	126653959
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	4.07
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(2-methylsulfanylpyrimidin-5-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C(N=C3)CC(=O)OC)CC(=O)OC(C)(C)C

DOS

IR

Vibrations