Geometry & MOs

Info

ID:

180177

PubChem CID:

76590198

Reduced:

SF2O3N7C28H29 (1)

Stoich.:

AB2C3D7E28F29 (1)

Weight, g/mol:

579.231806

ΔHf, kcal/mol:

-116.99

Dipole, Da:

3.68

IP(EA), eV:

 -8.98(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[(5-cyclopropylpyrazolidin-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(2,4-difluorophenoxy)-N-(6-fluoropyridin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(C2)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F

DOS

IR

Vibrations