Geometry & MOs

Info

ID:

298385

PubChem CID:

117648781

Reduced:

FO5N7C31H38 (1)

Stoich.:

AB5C7D31E38 (1)

Weight, g/mol:

582.253686

ΔHf, kcal/mol:

-175.85

Dipole, Da:

7.57

IP(EA), eV:

 -8.52(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-1-[[5-carbamoyl-6-[[3-(dimethylamino)-1-methylindazol-5-yl]amino]-3-fluoropyridin-2-yl]amino]-1-thiophen-2-ylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4)CCOC)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations