Geometry & MOs

Info

ID:	444430
PubChem CID:	135262374
Reduced:	FO2N7C20H20 (1)
Stoich.:	AB2C7D20E20 (1)
Weight, g/mol:	486.1234
ΔH_f, kcal/mol:	13.01
Dipole, Da:	5.32
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-fluoropyridin-4-yl)amino]-2-(6-methoxypyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-2-(methanesulfonamido)acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN3C=CC(=C3C(=N2)NC4=C(C=NC=C4)F)CNCC(CO)O

DOS

IR

Vibrations