Geometry & MOs

Info

ID:

444360

PubChem CID:

135262192

Reduced:

NSO4F6C23H25 (1)

Stoich.:

ABC4D6E23F25 (1)

Weight, g/mol:

465.172479

ΔHf, kcal/mol:

-455.19

Dipole, Da:

6.96

IP(EA), eV:

 -9.08(-0.68)

Spin(Sz, 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-[(1S,2S)-2-hydroxycyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)COC(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