Geometry & MOs

Info

ID:	59793
PubChem CID:	24897371
Reduced:	SN4O4C15H16 (1)
Stoich.:	AB4C4D15E16 (1)
Weight, g/mol:	458.159055
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	2.93
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-(2,2,2-trifluoroethylhydrazinylidene)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C/C(=N/OC(=O)C2=CN=CC=C2)/N

DOS

IR

Vibrations