Geometry & MOs

Info

ID:	444406
PubChem CID:	135262323
Reduced:	ClSO3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	472.157164
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	4.65
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=NSN=C1N2CCN(CC2)CC3COC4=CC=CC=C4O3.Cl

DOS

IR

Vibrations