Geometry & MOs

Info

ID:	444428
PubChem CID:	135262371
Reduced:	NSO4F6H20C21 (1)
Stoich.:	ABC4D6E20F21 (1)
Weight, g/mol:	381.089561
ΔH_f, kcal/mol:	-425.36
Dipole, Da:	8.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787968
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)pyridin-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)C(C)S(=O)[O-])(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations