Geometry & MOs

Info

ID:

298040

PubChem CID:

117647334

Reduced:

F2O4N7C24H29 (1)

Stoich.:

A2B4C7D24E29 (1)

Weight, g/mol:

542.27653

ΔHf, kcal/mol:

-202.62

Dipole, Da:

2.28

IP(EA), eV:

 -8.36(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4R)-4-[[5-carbamoyl-6-[[3-(dimethylamino)-1-methylindazol-5-yl]amino]-3-fluoropyridin-2-yl]amino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4F)C)C(=O)N)F

DOS

IR

Vibrations