Geometry & MOs

Info

ID:

169360

PubChem CID:

75092544

Reduced:

PSN6O10C22H35 (1)

Stoich.:

ABC6D10E22F35 (1)

Weight, g/mol:

484.253292

ΔHf, kcal/mol:

-434.32

Dipole, Da:

10.78

IP(EA), eV:

 -9.68(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]methyl]-N-(5-methylpyrazolidin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3C2=NC(=NC3=O)N)COP(=O)(N4CCOCC4)OCCSC(=O)C(C)(C)CO)O)O

DOS

IR

Vibrations