Geometry & MOs

Info

ID:	444351
PubChem CID:	135262178
Reduced:	FN8C20H21 (1)
Stoich.:	AB8C20D21 (1)
Weight, g/mol:	556.181664
ΔH_f, kcal/mol:	107.56
Dipole, Da:	3.64
IP(EA), eV:	-8.9(-1.08)
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-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN3C=CC(=C3C(=N2)NC4=C(C=NC=C4)F)CNCCCN

DOS

IR

Vibrations