Geometry & MOs

Info

ID:

298045

PubChem CID:

117647370

Reduced:

F2O3N7C23H31 (1)

Stoich.:

A2B3C7D23E31 (1)

Weight, g/mol:

561.267522

ΔHf, kcal/mol:

-203.94

Dipole, Da:

5.9

IP(EA), eV:

 -8.17(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-6-[[1-(2,2-difluoroethyl)-3-methylindazol-5-yl]amino]-3-fluoropyridin-2-yl]amino]-1-cyclopropylpropyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)NC)F)C(=O)N)F

DOS

IR

Vibrations